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

Systemtic Name: N-(4-chlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-chlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-chlorophenyl)butanamide IUPAC Name: N-(4-chlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(4-chlorophenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C23H22ClN3OS2 MolecularWeight: 456.02328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3OS2/c1-2-21(22(28)25-18-13-11-16(24)12-14-18)30-20-10-6-9-19(15-20)27-23(29)26-17-7-4-3-5-8-17/h3-15,21H,2H2,1H3,(H,25,28)(H2,26,27,29)