4-(6,7-dimethoxyquinazolin-4-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(1-naphthylmethyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(1-naphthalenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(1-naphthylmethyl)piperazine-1-carbothioamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC5=CC=CC=C54)OC

InChI

InChI=1S/C26H27N5O2S/c1-32-23-14-21-22(15-24(23)33-2)28-17-29-25(21)30-10-12-31(13-11-30)26(34)27-16-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,27,34)