N-(4-methylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-methylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-(p-tolyl)butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-methylphenyl)butanamide IUPAC Name: N-(4-methylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: 2-[[3-(phenylthiocarbamoylamino)phenyl]thio]-N-(p-tolyl)butyramide Formula: C24H25N3OS2 MolecularWeight: 435.6048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C24H25N3OS2/c1-3-22(23(28)25-19-14-12-17(2)13-15-19)30-21-11-7-10-20(16-21)27-24(29)26-18-8-5-4-6-9-18/h4-16,22H,3H2,1-2H3,(H,25,28)(H2,26,27,29)