3-phenylpropyl 5-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(cyclohexylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(cyclohexylsulfamoyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C27H35N3O5S2 MolecularWeight: 545.7139

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O5S2/c31-25(14-7-15-26(32)35-20-8-11-21-9-3-1-4-10-21)29-27(36)28-22-16-18-24(19-17-22)37(33,34)30-23-12-5-2-6-13-23/h1,3-4,9-10,16-19,23,30H,2,5-8,11-15,20H2,(H2,28,29,31,36)