3-butoxy-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3-butoxy-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-butoxy-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 3-butoxy-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-butoxy-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzamide Formula: C27H35N5O4S MolecularWeight: 525.6629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C27H35N5O4S/c1-2-3-18-36-23-9-7-8-21(19-23)26(33)28-27(37)31-16-14-29(15-17-31)22-10-11-24(32(34)35)25(20-22)30-12-5-4-6-13-30/h7-11,19-20H,2-6,12-18H2,1H3,(H,28,33,37)