4-(3-ethyl-2-methyl-imidazo[4,5-g]quinazolin-8-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-ethyl-2-methyl-imidazo[4,5-g]quinazolin-8-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(3-ethyl-2-methyl-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide CAS Name: 4-(3-ethyl-2-methyl-8-imidazo[4,5-g]quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(3-ethyl-2-methylimidazo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(3-ethyl-2-methyl-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide Formula: C24H27N7S MolecularWeight: 445.58308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=C3C(=C2)C(=NC=N3)N4CCN(CC4)C(=S)NCC5=CC=CC=C5)C

Isomeric SMILES

CCN1C(=NC2=C1C=C3C(=C2)C(=NC=N3)N4CCN(CC4)C(=S)NCC5=CC=CC=C5)C

InChI

InChI=1S/C24H27N7S/c1-3-31-17(2)28-21-13-19-20(14-22(21)31)26-16-27-23(19)29-9-11-30(12-10-29)24(32)25-15-18-7-5-4-6-8-18/h4-8,13-14,16H,3,9-12,15H2,1-2H3,(H,25,32)