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

Systemtic Name: N-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(p-tolyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-methylphenyl)butanamide IUPAC Name: N-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(p-tolyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]butyramide Formula: C25H27N3OS2 MolecularWeight: 449.63138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3OS2/c1-4-23(24(29)26-19-12-8-17(2)9-13-19)31-22-7-5-6-21(16-22)28-25(30)27-20-14-10-18(3)11-15-20/h5-16,23H,4H2,1-3H3,(H,26,29)(H2,27,28,30)