S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-6-methoxy-phenyl] pyridine-4-carbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-6-methoxy-phenyl] pyridine-4-carbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]-6-methoxy-phenyl] pyridine-4-carbothioate CAS Name: 4-pyridinecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-6-methoxyphenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]-6-methoxyphenyl] pyridine-4-carbothioate Traditional Name: pyridine-4-carbothioic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]-6-methoxy-phenyl] ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1SC(=O)C2=CC=NC=C2)C(=O)NCCC(=O)N

Isomeric SMILES

COC1=CC=CC(=C1SC(=O)C2=CC=NC=C2)C(=O)NCCC(=O)N

InChI

InChI=1S/C17H17N3O4S/c1-24-13-4-2-3-12(16(22)20-10-7-14(18)21)15(13)25-17(23)11-5-8-19-9-6-11/h2-6,8-9H,7,10H2,1H3,(H2,18,21)(H,20,22)