S-[2-[(4-aminocarbonylphenyl)carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide

Systemtic Name: S-[2-[(4-aminocarbonylphenyl)carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Openeye Name: S-[2-[(4-carbamoylphenyl)carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[(4-carbamoylanilino)-oxomethyl]phenyl] ester bromide IUPAC Name: S-[2-[(4-carbamoylphenyl)carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[(4-carbamoylphenyl)carbamoyl]phenyl] ester bromide Formula: C24H24BrN3O3S MolecularWeight: 514.43466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N.[Br-]

InChI

InChI=1S/C24H23N3O3S.BrH/c25-23(29)18-11-13-19(14-12-18)26-24(30)20-8-2-3-9-21(20)31-22(28)10-4-7-17-27-15-5-1-6-16-27;/h1-3,5-6,8-9,11-16H,4,7,10,17H2,(H2-,25,26,29,30);1H