ethyl 2-[(2S)-1-[(2-methylphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[(2S)-1-[(2-methylphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[(2S)-1-[(2-methylbenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-1-[(2-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(o-toluoylthiocarbamoyl)piperazin-2-yl]acetic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C17H21N3O4S/c1-3-24-14(21)10-13-16(23)18-8-9-20(13)17(25)19-15(22)12-7-5-4-6-11(12)2/h4-7,13H,3,8-10H2,1-2H3,(H,18,23)(H,19,22,25)/t13-/m0/s1