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

Systemtic Name: 2-phenoxyethyl 2-[1-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C24H24N4O7S MolecularWeight: 512.53496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCOC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCOC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O7S/c29-21(11-8-17-6-9-18(10-7-17)28(32)33)26-24(36)27-13-12-25-23(31)20(27)16-22(30)35-15-14-34-19-4-2-1-3-5-19/h1-11,20H,12-16H2,(H,25,31)(H,26,29,36)/b11-8+