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

Systemtic Name: N-(4-ethanoylphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(4-acetylphenyl)-2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-acetylphenyl)butanamide IUPAC Name: N-(4-acetylphenyl)-2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(4-acetylphenyl)-2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]butyramide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H27N3O3S2/c1-4-25(26(33)28-21-12-8-19(9-13-21)17(2)31)35-24-7-5-6-23(16-24)30-27(34)29-22-14-10-20(11-15-22)18(3)32/h5-16,25H,4H2,1-3H3,(H,28,33)(H2,29,30,34)