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

Systemtic Name: decyl 2-[1-[(2-nitrophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 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 decyl ester IUPAC Name: decyl 2-[1-[(2-nitrobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(2-nitrobenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid decyl ester Formula: C24H34N4O6S MolecularWeight: 506.61496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O6S/c1-2-3-4-5-6-7-8-11-16-34-21(29)17-20-23(31)25-14-15-27(20)24(35)26-22(30)18-12-9-10-13-19(18)28(32)33/h9-10,12-13,20H,2-8,11,14-17H2,1H3,(H,25,31)(H,26,30,35)