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

Systemtic Name: 4-bromanyl-3-methoxy-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-2-naphthamide Formula: C28H30BrN5O4S MolecularWeight: 612.5379

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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-])N5CCCCC5)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCCCC5)Br

InChI

InChI=1S/C28H30BrN5O4S/c1-38-26-22(17-19-7-3-4-8-21(19)25(26)29)27(35)30-28(39)33-15-13-31(14-16-33)20-9-10-23(34(36)37)24(18-20)32-11-5-2-6-12-32/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3,(H,30,35,39)