2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)butanamide

Systemtic Name: 2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2-ethyl-6-methylphenyl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-ethyl-6-methylphenyl)butanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(2-ethyl-6-methyl-phenyl)butyramide Formula: C28H31N3O2S2 MolecularWeight: 505.69464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(CC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C28H31N3O2S2/c1-5-20-10-7-9-18(3)26(20)31-27(33)25(6-2)35-24-12-8-11-23(17-24)30-28(34)29-22-15-13-21(14-16-22)19(4)32/h7-17,25H,5-6H2,1-4H3,(H,31,33)(H2,29,30,34)