N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]coumarilamide Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O2S/c26-21(20-14-17-6-2-3-7-19(17)27-20)24-22(28)23-18-10-8-16(9-11-18)15-25-12-4-1-5-13-25/h2-3,6-11,14H,1,4-5,12-13,15H2,(H2,23,24,26,28)/p+1