N-(5-chloranyl-2-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]butyramide Formula: C25H26ClN3OS2 MolecularWeight: 484.07644

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3OS2/c1-4-23(24(30)29-22-14-18(26)11-10-17(22)3)32-21-7-5-6-20(15-21)28-25(31)27-19-12-8-16(2)9-13-19/h5-15,23H,4H2,1-3H3,(H,29,30)(H2,27,28,31)