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

Systemtic Name: methyl 2-[(2S)-1-[2-(4-chlorophenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[[2-(4-chlorophenyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[[2-(4-chlorophenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[[2-(4-chlorophenyl)acetyl]thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClN3O4S/c1-24-14(22)9-12-15(23)18-6-7-20(12)16(25)19-13(21)8-10-2-4-11(17)5-3-10/h2-5,12H,6-9H2,1H3,(H,18,23)(H,19,21,25)/t12-/m0/s1