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

Systemtic Name: 4-(3-ethyl-1-methyl-2-oxidanylidene-imidazo[4,5-g]quinazolin-8-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(3-ethyl-1-methyl-2-oxo-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide CAS Name: 4-(3-ethyl-1-methyl-2-oxo-8-imidazo[4,5-g]quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(3-ethyl-1-methyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(3-ethyl-2-keto-1-methyl-imidazo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide Formula: C24H27N7OS MolecularWeight: 461.58248

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C3C(=C2)N=CN=C3N4CCN(CC4)C(=S)NCC5=CC=CC=C5)N(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C3C(=C2)N=CN=C3N4CCN(CC4)C(=S)NCC5=CC=CC=C5)N(C1=O)C

InChI

InChI=1S/C24H27N7OS/c1-3-31-21-14-19-18(13-20(21)28(2)24(31)32)22(27-16-26-19)29-9-11-30(12-10-29)23(33)25-15-17-7-5-4-6-8-17/h4-8,13-14,16H,3,9-12,15H2,1-2H3,(H,25,33)