3-phenylpropyl 5-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C29H38N2O4S MolecularWeight: 510.68802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O4S/c32-27(14-7-15-28(33)35-21-8-13-23-9-3-1-4-10-23)31-29(36)30-25-16-18-26(19-17-25)34-22-20-24-11-5-2-6-12-24/h1,3-4,9-10,16-19,24H,2,5-8,11-15,20-22H2,(H2,30,31,32,36)