4-(2-methylpropoxy)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 4-(2-methylpropoxy)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-isobutoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 4-(2-methylpropoxy)-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(2-methylpropoxy)-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-isobutoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C26H33N5O5S MolecularWeight: 527.63572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C26H33N5O5S/c1-19(2)18-36-22-6-3-20(4-7-22)25(32)27-26(37)30-11-9-28(10-12-30)21-5-8-23(31(33)34)24(17-21)29-13-15-35-16-14-29/h3-8,17,19H,9-16,18H2,1-2H3,(H,27,32,37)