4-(7-methylquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide dihydrochloride

Systemtic Name: 4-(7-methylquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide dihydrochloride Openeye Name: 4-(7-methylquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide dihydrochloride CAS Name: 4-(7-methyl-4-quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide dihydrochloride IUPAC Name: 4-(7-methylquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide dihydrochloride Traditional Name: 4-(7-methylquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide dihydrochloride Formula: C20H24Cl2N6S MolecularWeight: 451.41576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4.Cl.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4.Cl.Cl

InChI

InChI=1S/C20H22N6S.2ClH/c1-15-4-5-17-18(11-15)23-14-24-19(17)25-7-9-26(10-8-25)20(27)22-13-16-3-2-6-21-12-16;;/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,27);2*1H