tert-butyl 1-[(4-chlorophenyl)carbamothioyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[(4-chlorophenyl)carbamothioyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[(4-chlorophenyl)carbamothioyl]pyrrolidine-2-carboxylate CAS Name: 1-[(4-chloroanilino)-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-chlorophenyl)carbamothioyl]pyrrolidine-2-carboxylate Traditional Name: 1-[(4-chlorophenyl)thiocarbamoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C16H21ClN2O2S MolecularWeight: 340.86814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN2O2S/c1-16(2,3)21-14(20)13-5-4-10-19(13)15(22)18-12-8-6-11(17)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,18,22)