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

Systemtic Name: pentyl 2-[1-[2-(2-methylphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-3-4-7-12-28-19(26)14-17-20(27)22-10-11-24(17)21(29)23-18(25)13-16-9-6-5-8-15(16)2/h5-6,8-9,17H,3-4,7,10-14H2,1-2H3,(H,22,27)(H,23,25,29)