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

Systemtic Name: 4-bromanyl-3-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-2-naphthamide Formula: C24H23BrN4O5S MolecularWeight: 559.43222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C24H23BrN4O5S/c1-33-16-7-8-19(20(14-16)29(31)32)27-9-11-28(12-10-27)24(35)26-23(30)18-13-15-5-3-4-6-17(15)21(25)22(18)34-2/h3-8,13-14H,9-12H2,1-2H3,(H,26,30,35)