pentyl 2-[1-[(2-nitrophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-[(2-nitrophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-[(2-nitrobenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[(2-nitrobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(2-nitrobenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid amyl ester Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O6S/c1-2-3-6-11-29-16(24)12-15-18(26)20-9-10-22(15)19(30)21-17(25)13-7-4-5-8-14(13)23(27)28/h4-5,7-8,15H,2-3,6,9-12H2,1H3,(H,20,26)(H,21,25,30)