3-phenylpropyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[cyclohexyl(methyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C27H35N3O5S2 MolecularWeight: 545.7139

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O5S2/c1-30(23-12-6-3-7-13-23)37(33,34)24-16-14-22(15-17-24)28-27(36)29-25(31)18-19-26(32)35-20-8-11-21-9-4-2-5-10-21/h2,4-5,9-10,14-17,23H,3,6-8,11-13,18-20H2,1H3,(H2,28,29,31,36)