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

Systemtic Name: propyl 2-[(2S)-1-[(2-methylphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-3-10-25-15(22)11-14-17(24)19-8-9-21(14)18(26)20-16(23)13-7-5-4-6-12(13)2/h4-7,14H,3,8-11H2,1-2H3,(H,19,24)(H,20,23,26)/t14-/m0/s1