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

Systemtic Name: 3,4,5-triethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C26H36N3O4S+ MolecularWeight: 486.64674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C26H35N3O4S/c1-4-31-22-16-20(17-23(32-5-2)24(22)33-6-3)25(30)28-26(34)27-21-12-10-19(11-13-21)18-29-14-8-7-9-15-29/h10-13,16-17H,4-9,14-15,18H2,1-3H3,(H2,27,28,30,34)/p+1