4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-isopropenylphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[[4-(1-methylethenyl)phenyl]methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-isopropenylbenzyl)piperazine-1-carbothioamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O2S/c1-17(2)19-7-5-18(6-8-19)15-26-25(33)30-11-9-29(10-12-30)24-20-13-22(31-3)23(32-4)14-21(20)27-16-28-24/h5-8,13-14,16H,1,9-12,15H2,2-4H3,(H,26,33)