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

Systemtic Name: 5-bromanyl-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-1-naphthamide Formula: C23H21BrN4O4S MolecularWeight: 529.40624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br)[N+](=O)[O-]

InChI

InChI=1S/C23H21BrN4O4S/c1-32-15-8-9-20(21(14-15)28(30)31)26-10-12-27(13-11-26)23(33)25-22(29)18-6-2-5-17-16(18)4-3-7-19(17)24/h2-9,14H,10-13H2,1H3,(H,25,29,33)