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

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-[(4-tert-butylphenyl)methyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(4-tert-butylbenzyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C26H33N5O2S MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O2S/c1-26(2,3)19-8-6-18(7-9-19)16-27-25(34)31-12-10-30(11-13-31)24-20-14-22(32-4)23(33-5)15-21(20)28-17-29-24/h6-9,14-15,17H,10-13,16H2,1-5H3,(H,27,34)