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

Systemtic Name: 5-bromanyl-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-1-naphthamide Formula: C27H28BrN5O3S MolecularWeight: 582.51192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)[N+](=O)[O-]

InChI

InChI=1S/C27H28BrN5O3S/c28-23-9-5-6-20-21(23)7-4-8-22(20)26(34)29-27(37)32-16-14-30(15-17-32)19-10-11-24(33(35)36)25(18-19)31-12-2-1-3-13-31/h4-11,18H,1-3,12-17H2,(H,29,34,37)