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

Systemtic Name: 4-bromanyl-3-methoxy-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-2-naphthamide Formula: C23H21BrN4O4S MolecularWeight: 529.40624

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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-])Br

Isomeric SMILES

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

InChI

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