N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioylnaphthalene-2-carboxamide

Systemtic Name: N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioylnaphthalene-2-carboxamide Openeye Name: N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]naphthalene-2-carboxamide CAS Name: N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide Traditional Name: N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-2-naphthamide Formula: C27H29N5O3S MolecularWeight: 503.61586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O3S/c33-26(22-9-8-20-6-2-3-7-21(20)18-22)28-27(36)31-16-14-29(15-17-31)23-10-11-24(32(34)35)25(19-23)30-12-4-1-5-13-30/h2-3,6-11,18-19H,1,4-5,12-17H2,(H,28,33,36)