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

Systemtic Name: N-[3-[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[1-[(4-acetamidophenyl)carbamoyl]propylsulfanyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[1-(4-acetamidoanilino)-1-oxobutan-2-yl]thio]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[1-(4-acetamidoanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[1-[(4-acetamidophenyl)carbamoyl]propylthio]phenyl]-3,4-dimethoxy-benzamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H29N3O5S/c1-5-25(27(33)29-20-12-10-19(11-13-20)28-17(2)31)36-22-8-6-7-21(16-22)30-26(32)18-9-14-23(34-3)24(15-18)35-4/h6-16,25H,5H2,1-4H3,(H,28,31)(H,29,33)(H,30,32)