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

Systemtic Name: 5-bromanyl-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-1-naphthamide Formula: C22H18BrClN4O3S MolecularWeight: 533.82532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C22H18BrClN4O3S/c23-18-6-2-3-15-16(18)4-1-5-17(15)21(29)25-22(32)27-11-9-26(10-12-27)20-8-7-14(28(30)31)13-19(20)24/h1-8,13H,9-12H2,(H,25,29,32)