ethyl (1R,2S)-2-[(phenylmethyl)carbamothioylamino]cyclopentane-1-carboxylate

Systemtic Name: ethyl (1R,2S)-2-[(phenylmethyl)carbamothioylamino]cyclopentane-1-carboxylate Openeye Name: ethyl (1R,2S)-2-(benzylcarbamothioylamino)cyclopentanecarboxylate CAS Name: (1R,2S)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S)-2-(benzylcarbamothioylamino)cyclopentane-1-carboxylate Traditional Name: (1R,2S)-2-(benzylthiocarbamoylamino)cyclopentanecarboxylic acid ethyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC1NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[C@@H]1NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O2S/c1-2-20-15(19)13-9-6-10-14(13)18-16(21)17-11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H2,17,18,21)/t13-,14+/m1/s1