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

Systemtic Name: decyl 2-[1-[(2-methylphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-[(2-methylbenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-[(2-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(o-toluoylthiocarbamoyl)piperazin-2-yl]acetic acid decyl ester Formula: C25H37N3O4S MolecularWeight: 475.64398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O4S/c1-3-4-5-6-7-8-9-12-17-32-22(29)18-21-24(31)26-15-16-28(21)25(33)27-23(30)20-14-11-10-13-19(20)2/h10-11,13-14,21H,3-9,12,15-18H2,1-2H3,(H,26,31)(H,27,30,33)