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

Systemtic Name: decyl 2-[1-[2-(2-methylphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 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 decyl ester IUPAC Name: decyl 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 decyl ester Formula: C26H39N3O4S MolecularWeight: 489.67056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O4S/c1-3-4-5-6-7-8-9-12-17-33-24(31)19-22-25(32)27-15-16-29(22)26(34)28-23(30)18-21-14-11-10-13-20(21)2/h10-11,13-14,22H,3-9,12,15-19H2,1-2H3,(H,27,32)(H,28,30,34)