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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(3-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)29-22-10-6-9-21(26)17(22)3)32-20-8-5-7-19(15-20)28-25(31)27-18-13-11-16(2)12-14-18/h5-15,23H,4H2,1-3H3,(H,29,30)(H2,27,28,31)