S-[2-[2-azanylethanoyl(pyridin-2-ylcarbonyl)amino]-2-oxidanylidene-ethyl] benzenecarbothioate

Systemtic Name: S-[2-[2-azanylethanoyl(pyridin-2-ylcarbonyl)amino]-2-oxidanylidene-ethyl] benzenecarbothioate Openeye Name: S-[2-[(2-aminoacetyl)-(pyridine-2-carbonyl)amino]-2-oxo-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[(2-amino-1-oxoethyl)-[oxo(2-pyridinyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(2-aminoacetyl)-(pyridine-2-carbonyl)amino]-2-oxoethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[glycyl(picolinoyl)amino]-2-keto-ethyl] ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(=O)N(C(=O)CN)C(=O)C2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(=O)N(C(=O)CN)C(=O)C2=CC=CC=N2

InChI

InChI=1S/C17H15N3O4S/c18-10-14(21)20(16(23)13-8-4-5-9-19-13)15(22)11-25-17(24)12-6-2-1-3-7-12/h1-9H,10-11,18H2