N-anthracen-2-yl-1-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-ium-1-carbothioamide

Systemtic Name: N-anthracen-2-yl-1-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-ium-1-carbothioamide Openeye Name: N-(2-anthryl)-1-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-ium-1-carbothioamide CAS Name: N-(2-anthracenyl)-1-(6,7-dimethoxy-4-quinazolinyl)-1-piperazin-1-iumcarbothioamide IUPAC Name: N-anthracen-2-yl-1-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-ium-1-carbothioamide Traditional Name: N-(2-anthryl)-1-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-ium-1-carbothioamide Formula: C29H28N5O2S+ MolecularWeight: 510.62992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)[N+]3(CCNCC3)C(=S)NC4=CC5=CC6=CC=CC=C6C=C5C=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)[N+]3(CCNCC3)C(=S)NC4=CC5=CC6=CC=CC=C6C=C5C=C4)OC

InChI

InChI=1S/C29H27N5O2S/c1-35-26-16-24-25(17-27(26)36-2)31-18-32-28(24)34(11-9-30-10-12-34)29(37)33-23-8-7-21-13-19-5-3-4-6-20(19)14-22(21)15-23/h3-8,13-18,30H,9-12H2,1-2H3/p+1