[3-[(1-methoxy-1-oxidanylidene-butan-2-yl)carbamoylsulfanyl]-2-(methylsulfanylcarbonylamino)propyl] 4-(5-phenylhexan-3-yl)benzoate

Systemtic Name: [3-[(1-methoxy-1-oxidanylidene-butan-2-yl)carbamoylsulfanyl]-2-(methylsulfanylcarbonylamino)propyl] 4-(5-phenylhexan-3-yl)benzoate Openeye Name: [3-(1-methoxycarbonylpropylcarbamoylsulfanyl)-2-(methylsulfanylcarbonylamino)propyl] 4-(1-ethyl-3-phenyl-butyl)benzoate CAS Name: 4-(5-phenylhexan-3-yl)benzoic acid [3-[[[(1-methoxy-1-oxobutan-2-yl)amino]-oxomethyl]thio]-2-[[(methylthio)-oxomethyl]amino]propyl] ester IUPAC Name: [3-[(1-methoxy-1-oxobutan-2-yl)carbamoylsulfanyl]-2-(methylsulfanylcarbonylamino)propyl] 4-(5-phenylhexan-3-yl)benzoate Traditional Name: 4-(1-ethyl-3-phenyl-butyl)benzoic acid [3-(1-carbomethoxypropylcarbamoylthio)-2-[(methylthio)carbonylamino]propyl] ester Formula: C30H40N2O6S2 MolecularWeight: 588.7784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)OCC(CSC(=O)NC(CC)C(=O)OC)NC(=O)SC

Isomeric SMILES

CCC(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)OCC(CSC(=O)NC(CC)C(=O)OC)NC(=O)SC

InChI

InChI=1S/C30H40N2O6S2/c1-6-21(17-20(3)22-11-9-8-10-12-22)23-13-15-24(16-14-23)27(33)38-18-25(31-29(35)39-5)19-40-30(36)32-26(7-2)28(34)37-4/h8-16,20-21,25-26H,6-7,17-19H2,1-5H3,(H,31,35)(H,32,36)