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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-homoveratryl-N-methyl-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5S2/c1-14-13-31-22(23-14)32-20-8-6-16(12-17(20)25(27)28)21(26)24(2)10-9-15-5-7-18(29-3)19(11-15)30-4/h5-8,11-13H,9-10H2,1-4H3