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

Systemtic Name: 3,4,5-triethoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[4-(1-pyrrolidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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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+]3CCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C25H33N3O4S/c1-4-30-21-15-19(16-22(31-5-2)23(21)32-6-3)24(29)27-25(33)26-20-11-9-18(10-12-20)17-28-13-7-8-14-28/h9-12,15-16H,4-8,13-14,17H2,1-3H3,(H2,26,27,29,33)/p+1