N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-methyl-4-[(4-methylthiazol-2-yl)thio]-3-nitro-N-veratryl-benzamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S2/c1-13-12-30-21(22-13)31-19-8-6-15(10-16(19)24(26)27)20(25)23(2)11-14-5-7-17(28-3)18(9-14)29-4/h5-10,12H,11H2,1-4H3