N-[4-[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-[2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-[[1-(4-ethoxyanilino)-1-oxopropan-2-yl]thio]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(p-phenetidino)ethyl]thio]phenyl]-3,4-dimethoxy-benzamide Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H28N2O5S/c1-5-33-21-11-7-19(8-12-21)27-25(29)17(2)34-22-13-9-20(10-14-22)28-26(30)18-6-15-23(31-3)24(16-18)32-4/h6-17H,5H2,1-4H3,(H,27,29)(H,28,30)