4-chloranyl-N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 4-chloranyl-N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-chloro-N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]benzamide CAS Name: 4-chloro-N-[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-chloro-N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]benzamide Formula: C22H22ClN5O3S MolecularWeight: 471.95978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O3S/c1-30-18-11-16-17(12-19(18)31-2)24-13-25-20(16)27-7-9-28(10-8-27)22(32)26-21(29)14-3-5-15(23)6-4-14/h3-6,11-13H,7-10H2,1-2H3,(H,26,29,32)