4-nitro-N-[4-[(4-nitrophenyl)carbonyl-prop-2-enyl-carbamothioyl]piperazin-1-yl]carbothioyl-N-prop-2-enyl-benzamide

Systemtic Name: 4-nitro-N-[4-[(4-nitrophenyl)carbonyl-prop-2-enyl-carbamothioyl]piperazin-1-yl]carbothioyl-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[4-[allyl-(4-nitrobenzoyl)carbamothioyl]piperazine-1-carbothioyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[[4-[[[(4-nitrophenyl)-oxomethyl]-prop-2-enylamino]-sulfanylidenemethyl]-1-piperazinyl]-sulfanylidenemethyl]-N-prop-2-enylbenzamide IUPAC Name: 4-nitro-N-[4-[(4-nitrobenzoyl)-prop-2-enylcarbamothioyl]piperazine-1-carbothioyl]-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[4-[allyl-(4-nitrobenzoyl)thiocarbamoyl]piperazine-1-carbothioyl]-4-nitro-benzamide Formula: C26H26N6O6S2 MolecularWeight: 582.65124

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=S)N2CCN(CC2)C(=S)N(CC=C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=S)N2CCN(CC2)C(=S)N(CC=C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H26N6O6S2/c1-3-13-29(23(33)19-5-9-21(10-6-19)31(35)36)25(39)27-15-17-28(18-16-27)26(40)30(14-4-2)24(34)20-7-11-22(12-8-20)32(37)38/h3-12H,1-2,13-18H2