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

Systemtic Name: methyl 2-[1-[(4-chlorophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[(4-chlorobenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(4-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(4-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(4-chlorobenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C15H16ClN3O4S MolecularWeight: 369.82324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O4S/c1-23-12(20)8-11-14(22)17-6-7-19(11)15(24)18-13(21)9-2-4-10(16)5-3-9/h2-5,11H,6-8H2,1H3,(H,17,22)(H,18,21,24)