N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)thiocarbamoyl]thiophene-2-carboxamide Formula: C18H22N3OS2+ MolecularWeight: 360.51678

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NC(=O)C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NC(=O)C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3OS2/c22-17(16-7-4-12-24-16)20-18(23)19-15-8-10-21(11-9-15)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H2,19,20,22,23)/p+1