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

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] pyridine-4-carbothioate hydrochloride Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] pyridine-4-carbothioate hydrochloride CAS Name: 4-pyridinecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester hydrochloride IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] pyridine-4-carbothioate hydrochloride Traditional Name: pyridine-4-carbothioic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester hydrochloride Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC(=O)N)SC(=O)C2=CC=NC=C2.Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC(=O)N)SC(=O)C2=CC=NC=C2.Cl

InChI

InChI=1S/C16H15N3O3S.ClH/c17-14(20)7-10-19-15(21)12-3-1-2-4-13(12)23-16(22)11-5-8-18-9-6-11;/h1-6,8-9H,7,10H2,(H2,17,20)(H,19,21);1H