S-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] 5-pyridin-1-ium-1-ylpentanethioate

Systemtic Name: S-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] 5-pyridin-1-ium-1-ylpentanethioate Openeye Name: S-[2-(thiazol-2-ylcarbamoyl)phenyl] 5-pyridin-1-ium-1-ylpentanethioate CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[oxo-(2-thiazolylamino)methyl]phenyl] ester IUPAC Name: S-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] 5-pyridin-1-ium-1-ylpentanethioate Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-(thiazol-2-ylcarbamoyl)phenyl] ester Formula: C20H20N3O2S2+ MolecularWeight: 398.5217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NC3=NC=CS3

Isomeric SMILES

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NC3=NC=CS3

InChI

InChI=1S/C20H19N3O2S2/c24-18(10-4-7-14-23-12-5-1-6-13-23)27-17-9-3-2-8-16(17)19(25)22-20-21-11-15-26-20/h1-3,5-6,8-9,11-13,15H,4,7,10,14H2/p+1