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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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