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

Systemtic Name: ethyl 2-[1-[(4-ethylphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(4-ethylphenyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-ethylanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(4-ethylphenyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-3-12-5-7-13(8-6-12)19-17(24)20-10-9-18-16(22)14(20)11-15(21)23-4-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,22)(H,19,24)