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

Systemtic Name: N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C25H28ClN5O2S MolecularWeight: 498.04012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4(CC4)C5=CC=C(C=C5)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4(CC4)C5=CC=C(C=C5)Cl)OC

InChI

InChI=1S/C25H28ClN5O2S/c1-32-21-13-19-20(14-22(21)33-2)28-16-29-23(19)30-9-11-31(12-10-30)24(34)27-15-25(7-8-25)17-3-5-18(26)6-4-17/h3-6,13-14,16H,7-12,15H2,1-2H3,(H,27,34)