4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-[4-(aziridin-1-ylcarbothioylamino)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-[4-(aziridin-1-ylcarbothioylamino)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-[4-(aziridine-1-carbothioylamino)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-[4-[[1-aziridinyl(sulfanylidene)methyl]amino]phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-[4-(aziridine-1-carbothioylamino)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-[4-(ethylenimine-1-carbothioylamino)phenyl]piperazine-1-carbothioamide Formula: C24H28N8O2S2 MolecularWeight: 524.66152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)NC(=S)N5CC5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)NC(=S)N5CC5)N)OC

InChI

InChI=1S/C24H28N8O2S2/c1-33-19-13-17-18(14-20(19)34-2)28-22(29-21(17)25)30-7-9-31(10-8-30)23(35)26-15-3-5-16(6-4-15)27-24(36)32-11-12-32/h3-6,13-14H,7-12H2,1-2H3,(H,26,35)(H,27,36)(H2,25,28,29)