4-(6,7-dimethoxyquinazolin-4-yl)-N-methyl-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-methyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(6,7-dimethoxyquinazolin-4-yl)-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-methyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(6,7-dimethoxyquinazolin-4-yl)-N-methylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(6,7-dimethoxyquinazolin-4-yl)-N-methyl-piperazine-1-carbothioamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C23H27N5O2S/c1-26(15-17-7-5-4-6-8-17)23(31)28-11-9-27(10-12-28)22-18-13-20(29-2)21(30-3)14-19(18)24-16-25-22/h4-8,13-14,16H,9-12,15H2,1-3H3