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

Systemtic Name: 3-phenylpropyl 5-(cyclopentylcarbamothioylamino)-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(cyclopentylcarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-[[(cyclopentylamino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(cyclopentylcarbamothioylamino)-5-oxopentanoate Traditional Name: 5-(cyclopentylthiocarbamoylamino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C1CCC(C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

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