N-(pyridin-2-ylmethyl)-N-(3-pyridin-4-ylsulfanylpropyl)benzamide dihydrochloride

Systemtic Name: N-(pyridin-2-ylmethyl)-N-(3-pyridin-4-ylsulfanylpropyl)benzamide dihydrochloride Openeye Name: N-(2-pyridylmethyl)-N-[3-(4-pyridylsulfanyl)propyl]benzamide dihydrochloride CAS Name: N-(2-pyridinylmethyl)-N-[3-(pyridin-4-ylthio)propyl]benzamide dihydrochloride IUPAC Name: N-(pyridin-2-ylmethyl)-N-(3-pyridin-4-ylsulfanylpropyl)benzamide dihydrochloride Traditional Name: N-(2-pyridylmethyl)-N-[3-(4-pyridylthio)propyl]benzamide dihydrochloride Formula: C21H23Cl2N3OS MolecularWeight: 436.39782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(CCCSC2=CC=NC=C2)CC3=CC=CC=N3.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(CCCSC2=CC=NC=C2)CC3=CC=CC=N3.Cl.Cl

InChI

InChI=1S/C21H21N3OS.2ClH/c25-21(18-7-2-1-3-8-18)24(17-19-9-4-5-12-23-19)15-6-16-26-20-10-13-22-14-11-20;;/h1-5,7-14H,6,15-17H2;2*1H