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

Systemtic Name: N-(4-acetamidophenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(4-acetamidophenyl)-2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide CAS Name: N-(4-acetamidophenyl)-2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(4-acetamidophenyl)-2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(4-acetamidophenyl)-2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]butyramide Formula: C27H28N4O3S2 MolecularWeight: 520.66622

Click to see the large picture

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(=O)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(=O)C

InChI

InChI=1S/C27H28N4O3S2/c1-4-25(26(34)29-21-14-12-20(13-15-21)28-18(3)33)36-24-7-5-6-23(16-24)31-27(35)30-22-10-8-19(9-11-22)17(2)32/h5-16,25H,4H2,1-3H3,(H,28,33)(H,29,34)(H2,30,31,35)