methyl 2-[(2S)-1-[(4-chlorophenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[(4-chlorophenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[(4-chlorophenyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(4-chloroanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[(4-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(4-chlorophenyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3O3S/c1-21-12(19)8-11-13(20)16-6-7-18(11)14(22)17-10-4-2-9(15)3-5-10/h2-5,11H,6-8H2,1H3,(H,16,20)(H,17,22)/t11-/m0/s1