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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-[(3-chlorophenyl)methyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(3-chlorobenzyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C22H24ClN5O2S MolecularWeight: 457.97626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN5O2S/c1-29-19-11-17-18(12-20(19)30-2)25-14-26-21(17)27-6-8-28(9-7-27)22(31)24-13-15-4-3-5-16(23)10-15/h3-5,10-12,14H,6-9,13H2,1-2H3,(H,24,31)