S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-5-chloranyl-phenyl] pyridine-3-carbothioate hydrochloride

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-5-chloranyl-phenyl] pyridine-3-carbothioate hydrochloride Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]-5-chloro-phenyl] pyridine-3-carbothioate hydrochloride CAS Name: 3-pyridinecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-5-chlorophenyl] ester hydrochloride IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]-5-chlorophenyl] pyridine-3-carbothioate hydrochloride Traditional Name: pyridine-3-carbothioic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]-5-chloro-phenyl] ester hydrochloride Formula: C16H15Cl2N3O3S MolecularWeight: 400.2796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)SC2=C(C=CC(=C2)Cl)C(=O)NCCC(=O)N.Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)SC2=C(C=CC(=C2)Cl)C(=O)NCCC(=O)N.Cl

InChI

InChI=1S/C16H14ClN3O3S.ClH/c17-11-3-4-12(15(22)20-7-5-14(18)21)13(8-11)24-16(23)10-2-1-6-19-9-10;/h1-4,6,8-9H,5,7H2,(H2,18,21)(H,20,22);1H