4-(6,7-dimethoxyquinazolin-4-yl)-N-(phenylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(phenylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-benzyl-4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(phenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-benzyl-4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepane-1-carbothioamide Traditional Name: N-benzyl-4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepane-1-carbothioamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCN(CC3)C(=S)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCN(CC3)C(=S)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C23H27N5O2S/c1-29-20-13-18-19(14-21(20)30-2)25-16-26-22(18)27-9-6-10-28(12-11-27)23(31)24-15-17-7-4-3-5-8-17/h3-5,7-8,13-14,16H,6,9-12,15H2,1-2H3,(H,24,31)