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

Systemtic Name: 4-bromanyl-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-methoxy-2-naphthamide Formula: C23H20BrClN4O4S MolecularWeight: 563.8513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrClN4O4S/c1-33-21-17(12-14-4-2-3-5-16(14)20(21)24)22(30)26-23(34)28-10-8-27(9-11-28)19-7-6-15(29(31)32)13-18(19)25/h2-7,12-13H,8-11H2,1H3,(H,26,30,34)