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

Systemtic Name: N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-3-propoxy-benzamide Openeye Name: N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]-3-propoxy-benzamide CAS Name: N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]-3-propoxybenzamide Traditional Name: N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-3-propoxy-benzamide Formula: C26H33N5O4S MolecularWeight: 511.63632

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C26H33N5O4S/c1-2-17-35-22-8-6-7-20(18-22)25(32)27-26(36)30-15-13-28(14-16-30)21-9-10-23(31(33)34)24(19-21)29-11-4-3-5-12-29/h6-10,18-19H,2-5,11-17H2,1H3,(H,27,32,36)