3-[(2-aminophenyl)methyl]-5-(3,4-dimethoxyphenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-one; 5-(3,4-dimethoxyphenyl)-6-ethyl-3-[(2-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one

Systemtic Name: 3-[(2-aminophenyl)methyl]-5-(3,4-dimethoxyphenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-one; 5-(3,4-dimethoxyphenyl)-6-ethyl-3-[(2-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Openeye Name: 3-[(2-aminophenyl)methyl]-5-(3,4-dimethoxyphenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-one; 5-(3,4-dimethoxyphenyl)-6-ethyl-3-[(2-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one CAS Name: 3-[(2-aminophenyl)methyl]-5-(3,4-dimethoxyphenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-one; 5-(3,4-dimethoxyphenyl)-6-ethyl-3-[(2-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one IUPAC Name: 3-[(2-aminophenyl)methyl]-5-(3,4-dimethoxyphenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-one; 5-(3,4-dimethoxyphenyl)-6-ethyl-3-[(2-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Traditional Name: 3-(2-aminobenzyl)-5-(3,4-dimethoxyphenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-one; 5-(3,4-dimethoxyphenyl)-6-ethyl-3-(2-nitrobenzyl)-6H-1,3,4-thiadiazin-2-one Formula: C40H44N6O8S2 MolecularWeight: 800.94276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NN(C(=O)S1)CC2=CC=CC=C2N)C3=CC(=C(C=C3)OC)OC.CCC1C(=NN(C(=O)S1)CC2=CC=CC=C2[N+](=O)[O-])C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1C(=NN(C(=O)S1)CC2=CC=CC=C2N)C3=CC(=C(C=C3)OC)OC.CCC1C(=NN(C(=O)S1)CC2=CC=CC=C2[N+](=O)[O-])C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H21N3O5S.C20H23N3O3S/c1-4-18-19(13-9-10-16(27-2)17(11-13)28-3)21-22(20(24)29-18)12-14-7-5-6-8-15(14)23(25)26;1-4-18-19(13-9-10-16(25-2)17(11-13)26-3)22-23(20(24)27-18)12-14-7-5-6-8-15(14)21/h5-11,18H,4,12H2,1-3H3;5-11,18H,4,12,21H2,1-3H3