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

Systemtic Name: ethyl (1R,2S)-2-[phenylcarbamothioyl-(phenylmethyl)amino]cyclopentane-1-carboxylate Openeye Name: ethyl (1R,2S)-2-[benzyl(phenylcarbamothioyl)amino]cyclopentanecarboxylate CAS Name: (1R,2S)-2-[[anilino(sulfanylidene)methyl]-(phenylmethyl)amino]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S)-2-[benzyl(phenylcarbamothioyl)amino]cyclopentane-1-carboxylate Traditional Name: (1R,2S)-2-[benzyl(phenylthiocarbamoyl)amino]cyclopentanecarboxylic acid ethyl ester Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC1N(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[C@@H]1N(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-2-26-21(25)19-14-9-15-20(19)24(16-17-10-5-3-6-11-17)22(27)23-18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3,(H,23,27)/t19-,20+/m1/s1