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

Systemtic Name: methyl 2-[1-[(4-ethylphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[(4-ethylphenyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-ethylanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(4-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(4-ethylphenyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CCNC(=O)C2CC(=O)OC

InChI

InChI=1S/C16H21N3O3S/c1-3-11-4-6-12(7-5-11)18-16(23)19-9-8-17-15(21)13(19)10-14(20)22-2/h4-7,13H,3,8-10H2,1-2H3,(H,17,21)(H,18,23)