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

Systemtic Name: N-[3-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[1-[(4-butoxyphenyl)carbamoyl]propylsulfanyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[1-(4-butoxyanilino)-1-oxobutan-2-yl]thio]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[1-(4-butoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[1-[(4-butoxyphenyl)carbamoyl]propylthio]phenyl]-3,4-dimethoxy-benzamide Formula: C29H34N2O5S MolecularWeight: 522.65566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C29H34N2O5S/c1-5-7-17-36-23-14-12-21(13-15-23)30-29(33)27(6-2)37-24-10-8-9-22(19-24)31-28(32)20-11-16-25(34-3)26(18-20)35-4/h8-16,18-19,27H,5-7,17H2,1-4H3,(H,30,33)(H,31,32)