3-phenylpropyl 4-(cyclohexylcarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-(cyclohexylcarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(cyclohexylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(cyclohexylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(cyclohexylthiocarbamoylamino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O3S/c23-18(22-20(26)21-17-11-5-2-6-12-17)13-14-19(24)25-15-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H2,21,22,23,26)