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

Systemtic Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)butanamide Openeye Name: N-(4-isopropylphenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-propan-2-ylphenyl)butanamide IUPAC Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)butanamide Traditional Name: N-p-cumenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]butyramide Formula: C27H31N3OS2 MolecularWeight: 477.68454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3OS2/c1-5-25(26(31)28-21-15-11-20(12-16-21)18(2)3)33-24-8-6-7-23(17-24)30-27(32)29-22-13-9-19(4)10-14-22/h6-18,25H,5H2,1-4H3,(H,28,31)(H2,29,30,32)