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

Systemtic Name: N-(4-acetamidophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(4-acetamidophenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: N-(4-acetamidophenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(4-acetamidophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(4-acetamidophenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]butyramide Formula: C26H28N4O2S2 MolecularWeight: 492.65612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2S2/c1-4-24(25(32)28-20-14-12-19(13-15-20)27-18(3)31)34-23-7-5-6-22(16-23)30-26(33)29-21-10-8-17(2)9-11-21/h5-16,24H,4H2,1-3H3,(H,27,31)(H,28,32)(H2,29,30,33)