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

Systemtic Name: 2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C26H27N3O2S2/c1-4-19-8-5-7-17(2)25(19)29-24(31)16-33-23-10-6-9-22(15-23)28-26(32)27-21-13-11-20(12-14-21)18(3)30/h5-15H,4,16H2,1-3H3,(H,29,31)(H2,27,28,32)