N-[3-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-chloranyl-benzamide

Systemtic Name: N-[3-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-chloranyl-benzamide Openeye Name: N-[3-[2-(4-butoxyanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3-chloro-benzamide CAS Name: N-[3-[[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]thio]phenyl]-3-chlorobenzamide IUPAC Name: N-[3-[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-chlorobenzamide Traditional Name: N-[3-[[2-(4-butoxyanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-3-chloro-benzamide Formula: C31H29ClN2O3S MolecularWeight: 545.09156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C31H29ClN2O3S/c1-2-3-19-37-27-17-15-25(16-18-27)33-31(36)29(22-9-5-4-6-10-22)38-28-14-8-13-26(21-28)34-30(35)23-11-7-12-24(32)20-23/h4-18,20-21,29H,2-3,19H2,1H3,(H,33,36)(H,34,35)