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

Systemtic Name: N-[3-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-chloranyl-benzamide Openeye Name: N-[3-[1-[(4-butoxyphenyl)carbamoyl]propylsulfanyl]phenyl]-3-chloro-benzamide CAS Name: N-[3-[[1-(4-butoxyanilino)-1-oxobutan-2-yl]thio]phenyl]-3-chlorobenzamide IUPAC Name: N-[3-[1-(4-butoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-chlorobenzamide Traditional Name: N-[3-[1-[(4-butoxyphenyl)carbamoyl]propylthio]phenyl]-3-chloro-benzamide Formula: C27H29ClN2O3S MolecularWeight: 497.04876

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN2O3S/c1-3-5-16-33-23-14-12-21(13-15-23)29-27(32)25(4-2)34-24-11-7-10-22(18-24)30-26(31)19-8-6-9-20(28)17-19/h6-15,17-18,25H,3-5,16H2,1-2H3,(H,29,32)(H,30,31)