decyl 2-[1-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[1-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid decyl ester Formula: C26H36N4O6S MolecularWeight: 532.65224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O6S/c1-2-3-4-5-6-7-8-9-18-36-24(32)19-22-25(33)27-16-17-29(22)26(37)28-23(31)15-12-20-10-13-21(14-11-20)30(34)35/h10-15,22H,2-9,16-19H2,1H3,(H,27,33)(H,28,31,37)/b15-12+