S-[2-[(1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide

Systemtic Name: S-[2-[(1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Openeye Name: S-[2-[(1-carbamoyl-2-methyl-butyl)carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-oxomethyl]phenyl] ester bromide IUPAC Name: S-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[(1-carbamoyl-2-methyl-butyl)carbamoyl]phenyl] ester bromide Formula: C23H30BrN3O3S MolecularWeight: 508.4716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)CCCC[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

CCC(C)C(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)CCCC[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C23H29N3O3S.BrH/c1-3-17(2)21(22(24)28)25-23(29)18-11-5-6-12-19(18)30-20(27)13-7-10-16-26-14-8-4-9-15-26;/h4-6,8-9,11-12,14-15,17,21H,3,7,10,13,16H2,1-2H3,(H2-,24,25,28,29);1H