ethyl 4-[[(1R)-1-(3,4-dichlorophenyl)propyl]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[(1R)-1-(3,4-dichlorophenyl)propyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[(1R)-1-(3,4-dichlorophenyl)propyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(1R)-1-(3,4-dichlorophenyl)propyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(1R)-1-(3,4-dichlorophenyl)propyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[(1R)-1-(3,4-dichlorophenyl)propyl]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23Cl2N3O2S MolecularWeight: 404.35442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)Cl)Cl)NC(=S)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CC[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=S)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C17H23Cl2N3O2S/c1-3-15(12-5-6-13(18)14(19)11-12)20-16(25)21-7-9-22(10-8-21)17(23)24-4-2/h5-6,11,15H,3-4,7-10H2,1-2H3,(H,20,25)/t15-/m1/s1