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

Systemtic Name: 3-methoxy-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-2-naphthamide Formula: C28H31N5O4S MolecularWeight: 533.64184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCCCC5

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCCCC5

InChI

InChI=1S/C28H31N5O4S/c1-37-26-18-21-8-4-3-7-20(21)17-23(26)27(34)29-28(38)32-15-13-30(14-16-32)22-9-10-24(33(35)36)25(19-22)31-11-5-2-6-12-31/h3-4,7-10,17-19H,2,5-6,11-16H2,1H3,(H,29,34,38)