4-(3-ethylimidazo[4,5-g]quinazolin-8-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-ethylimidazo[4,5-g]quinazolin-8-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(3-ethylimidazo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide CAS Name: 4-(3-ethyl-8-imidazo[4,5-g]quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(3-ethylimidazo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(3-ethylimidazo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide Formula: C23H25N7S MolecularWeight: 431.5565

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7S/c1-2-28-16-27-20-12-18-19(13-21(20)28)25-15-26-22(18)29-8-10-30(11-9-29)23(31)24-14-17-6-4-3-5-7-17/h3-7,12-13,15-16H,2,8-11,14H2,1H3,(H,24,31)