4-ethoxy-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-benzamide Formula: C24H28N6O7S MolecularWeight: 544.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N6O7S/c1-2-37-22-6-3-17(15-21(22)30(34)35)23(31)25-24(38)28-9-7-26(8-10-28)18-4-5-19(29(32)33)20(16-18)27-11-13-36-14-12-27/h3-6,15-16H,2,7-14H2,1H3,(H,25,31,38)