3-phenylpropyl 5-(cyclohexylcarbamothioylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-(cyclohexylcarbamothioylamino)-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(cyclohexylcarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(cyclohexylcarbamothioylamino)-5-oxopentanoate Traditional Name: 5-(cyclohexylthiocarbamoylamino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3S/c24-19(23-21(27)22-18-12-5-2-6-13-18)14-7-15-20(25)26-16-8-11-17-9-3-1-4-10-17/h1,3-4,9-10,18H,2,5-8,11-16H2,(H2,22,23,24,27)