N-(2,5-dimethylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: N-(2,5-dimethylphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]butyramide Formula: C26H29N3OS2 MolecularWeight: 463.65796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3OS2/c1-5-24(25(30)29-23-15-18(3)9-12-19(23)4)32-22-8-6-7-21(16-22)28-26(31)27-20-13-10-17(2)11-14-20/h6-16,24H,5H2,1-4H3,(H,29,30)(H2,27,28,31)