N-[3-(1-oxidanylidene-1-phenylazanyl-butan-2-yl)sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-(1-oxidanylidene-1-phenylazanyl-butan-2-yl)sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[1-(phenylcarbamoyl)propylsulfanyl]phenyl]cyclohexanecarboxamide CAS Name: N-[3-[(1-anilino-1-oxobutan-2-yl)thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-(1-anilino-1-oxobutan-2-yl)sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[1-(phenylcarbamoyl)propylthio]phenyl]cyclohexanecarboxamide Formula: C23H28N2O2S MolecularWeight: 396.54562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C23H28N2O2S/c1-2-21(23(27)24-18-12-7-4-8-13-18)28-20-15-9-14-19(16-20)25-22(26)17-10-5-3-6-11-17/h4,7-9,12-17,21H,2-3,5-6,10-11H2,1H3,(H,24,27)(H,25,26)