S-[2-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate

Systemtic Name: S-[2-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate Openeye Name: S-[2-[(1-carbamoyl-3-methyl-butyl)carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[(1-carbamoyl-3-methyl-butyl)carbamoyl]phenyl] ester Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-17(2)16-19(22(24)28)25-23(29)18-10-4-5-11-20(18)30-21(27)12-6-9-15-26-13-7-3-8-14-26/h3-5,7-8,10-11,13-14,17,19H,6,9,12,15-16H2,1-2H3,(H2-,24,25,28,29)/p+1