N-(3-chloranyl-2-methyl-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3-chloro-2-methylphenyl)butanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C24H24ClN3OS2 MolecularWeight: 470.04986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3OS2/c1-3-22(23(29)28-21-14-8-13-20(25)16(21)2)31-19-12-7-11-18(15-19)27-24(30)26-17-9-5-4-6-10-17/h4-15,22H,3H2,1-2H3,(H,28,29)(H2,26,27,30)