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

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dichlorobenzyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C22H23Cl2N5O2S MolecularWeight: 492.42132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC(=C(C=C4)Cl)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC(=C(C=C4)Cl)Cl)OC

InChI

InChI=1S/C22H23Cl2N5O2S/c1-30-19-10-15-18(11-20(19)31-2)26-13-27-21(15)28-5-7-29(8-6-28)22(32)25-12-14-3-4-16(23)17(24)9-14/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,25,32)