N-[(3,4-dimethoxyphenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-veratryl-piperazine-1-carbothioamide Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)OC

InChI

InChI=1S/C24H29N5O4S/c1-30-19-6-5-16(11-20(19)31-2)14-25-24(34)29-9-7-28(8-10-29)23-17-12-21(32-3)22(33-4)13-18(17)26-15-27-23/h5-6,11-13,15H,7-10,14H2,1-4H3,(H,25,34)