3,5-diethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-diethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-diethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-diethoxy-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-diethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-diethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3)OCC

InChI

InChI=1S/C24H31N3O3S/c1-3-29-21-14-19(15-22(16-21)30-4-2)23(28)26-24(31)25-20-10-8-18(9-11-20)17-27-12-6-5-7-13-27/h8-11,14-16H,3-7,12-13,17H2,1-2H3,(H2,25,26,28,31)/p+1