N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-2-carbothioamide dihydrochloride

Systemtic Name: N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-2-carbothioamide dihydrochloride Openeye Name: N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-2-carbothioamide dihydrochloride CAS Name: N-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-2-pyridinecarbothioamide dihydrochloride IUPAC Name: N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-2-carbothioamide dihydrochloride Traditional Name: N-[3-[(4-methylpiperazino)methyl]phenyl]thiopicolinamide dihydrochloride Formula: C18H24Cl2N4S MolecularWeight: 399.38096

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=CC=C2)NC(=S)C3=CC=CC=N3.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=CC=C2)NC(=S)C3=CC=CC=N3.Cl.Cl

InChI

InChI=1S/C18H22N4S.2ClH/c1-21-9-11-22(12-10-21)14-15-5-4-6-16(13-15)20-18(23)17-7-2-3-8-19-17;;/h2-8,13H,9-12,14H2,1H3,(H,20,23);2*1H