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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-homoveratryl-4-[(4-methylthiazol-2-yl)thio]-3-nitro-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)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S2/c1-13-12-30-21(23-13)31-19-7-5-15(11-16(19)24(26)27)20(25)22-9-8-14-4-6-17(28-2)18(10-14)29-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)