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

Systemtic Name: ethyl 2-[1-[2-(2-methylphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-[[2-(o-tolyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[[2-(2-methylphenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[2-(o-tolyl)acetyl]thiocarbamoyl]piperazin-2-yl]acetic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC=C2C

InChI

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