5-bromanyl-2-methoxy-3-methyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C24H28BrN5O5S MolecularWeight: 578.47862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)OC

InChI

InChI=1S/C24H28BrN5O5S/c1-16-13-17(25)14-19(22(16)34-2)23(31)26-24(36)29-7-5-27(6-8-29)18-3-4-20(30(32)33)21(15-18)28-9-11-35-12-10-28/h3-4,13-15H,5-12H2,1-2H3,(H,26,31,36)