1-[(4-phenoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[(4-phenoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(4-phenoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(4-phenoxyanilino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-phenoxyphenyl)carbamothioyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(4-phenoxyphenyl)thiocarbamoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C24H30N4O2S/c25-22(29)24(28-15-5-2-6-16-28)13-17-27(18-14-24)23(31)26-19-9-11-21(12-10-19)30-20-7-3-1-4-8-20/h1,3-4,7-12H,2,5-6,13-18H2,(H2,25,29)(H,26,31)/p+1