3-phenylpropyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C28H36N2O4S MolecularWeight: 496.66144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H36N2O4S/c31-26(17-18-27(32)34-20-7-12-22-8-3-1-4-9-22)30-28(35)29-24-13-15-25(16-14-24)33-21-19-23-10-5-2-6-11-23/h1,3-4,8-9,13-16,23H,2,5-7,10-12,17-21H2,(H2,29,30,31,35)