N-[2-(4-chlorophenyl)ethyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C23H26ClN5O2S MolecularWeight: 472.00284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C23H26ClN5O2S/c1-30-20-13-18-19(14-21(20)31-2)26-15-27-22(18)28-9-11-29(12-10-28)23(32)25-8-7-16-3-5-17(24)6-4-16/h3-6,13-15H,7-12H2,1-2H3,(H,25,32)