1-(2-ethoxyphenyl)-N-[(phenylmethyl)carbamoyl]-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide

Systemtic Name: 1-(2-ethoxyphenyl)-N-[(phenylmethyl)carbamoyl]-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide Openeye Name: N-(benzylcarbamoyl)-1-(2-ethoxyphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide CAS Name: 1-(2-ethoxyphenyl)-2-mercapto-N-[oxo-[(phenylmethyl)amino]methyl]-3-imidazo[1,2-a]pyridin-4-iumcarboxamide IUPAC Name: N-(benzylcarbamoyl)-1-(2-ethoxyphenyl)-2-sulfanylimidazo[1,2-a]pyridin-4-ium-3-carboxamide Traditional Name: N-(benzylcarbamoyl)-2-mercapto-1-o-phenetyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide Formula: C24H23N4O3S+ MolecularWeight: 447.52942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=CC=CC=[N+]3C(=C2S)C(=O)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=CC=CC=[N+]3C(=C2S)C(=O)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O3S/c1-2-31-19-13-7-6-12-18(19)28-20-14-8-9-15-27(20)21(23(28)32)22(29)26-24(30)25-16-17-10-4-3-5-11-17/h3-15H,2,16H2,1H3,(H2-,25,26,29,30,32)/p+1