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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzhydryl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzhydryl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzhydryl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC(C4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC(C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H29N5O2S/c1-34-24-17-22-23(18-25(24)35-2)29-19-30-27(22)32-13-15-33(16-14-32)28(36)31-26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17-19,26H,13-16H2,1-2H3,(H,31,36)