S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 3-pyridin-1-ium-1-ylpropanethioate

Systemtic Name: S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 3-pyridin-1-ium-1-ylpropanethioate Openeye Name: S-[2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl] 3-pyridin-1-ium-1-ylpropanethioate CAS Name: 3-(1-pyridin-1-iumyl)propanethioic acid S-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 3-pyridin-1-ium-1-ylpropanethioate Traditional Name: 3-pyridin-1-ium-1-ylpropanethioic acid S-[2-[(2-amino-2-keto-ethyl)carbamoyl]phenyl] ester Formula: C17H18N3O3S+ MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCC(=O)SC2=CC=CC=C2C(=O)NCC(=O)N

Isomeric SMILES

C1=CC=[N+](C=C1)CCC(=O)SC2=CC=CC=C2C(=O)NCC(=O)N

InChI

InChI=1S/C17H17N3O3S/c18-15(21)12-19-17(23)13-6-2-3-7-14(13)24-16(22)8-11-20-9-4-1-5-10-20/h1-7,9-10H,8,11-12H2,(H2-,18,19,21,23)/p+1