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

Systemtic Name: N-[(3-chloranyl-4-methyl-phenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-[(3-chloro-4-methyl-phenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-[(3-chloro-4-methylphenyl)methyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(3-chloro-4-methylphenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-benzyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C23H26ClN5O2S MolecularWeight: 472.00284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)Cl

InChI

InChI=1S/C23H26ClN5O2S/c1-15-4-5-16(10-18(15)24)13-25-23(32)29-8-6-28(7-9-29)22-17-11-20(30-2)21(31-3)12-19(17)26-14-27-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,25,32)