4-bromanyl-3-methoxy-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-3-methoxy-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-2-naphthamide Formula: C27H28BrN5O5S MolecularWeight: 614.51072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCOCC5)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCOCC5)Br

InChI

InChI=1S/C27H28BrN5O5S/c1-37-25-21(16-18-4-2-3-5-20(18)24(25)28)26(34)29-27(39)32-10-8-30(9-11-32)19-6-7-22(33(35)36)23(17-19)31-12-14-38-15-13-31/h2-7,16-17H,8-15H2,1H3,(H,29,34,39)