2-cyano-1-(4-methoxyphenyl)-9-oxidanylidene-1,3-dihydropyrrolo[2,1-b]quinazoline-2-carbothioamide

Systemtic Name: 2-cyano-1-(4-methoxyphenyl)-9-oxidanylidene-1,3-dihydropyrrolo[2,1-b]quinazoline-2-carbothioamide Openeye Name: 2-cyano-1-(4-methoxyphenyl)-9-oxo-1,3-dihydropyrrolo[2,1-b]quinazoline-2-carbothioamide CAS Name: 2-cyano-1-(4-methoxyphenyl)-9-oxo-1,3-dihydropyrrolo[2,1-b]quinazoline-2-carbothioamide IUPAC Name: 2-cyano-1-(4-methoxyphenyl)-9-oxo-1,3-dihydropyrrolo[2,1-b]quinazoline-2-carbothioamide Traditional Name: 2-cyano-9-keto-1-(4-methoxyphenyl)-1,3-dihydropyrrolo[2,1-b]quinazoline-2-carbothioamide Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(CC3=NC4=CC=CC=C4C(=O)N23)(C#N)C(=S)N

Isomeric SMILES

COC1=CC=C(C=C1)C2C(CC3=NC4=CC=CC=C4C(=O)N23)(C#N)C(=S)N

InChI

InChI=1S/C20H16N4O2S/c1-26-13-8-6-12(7-9-13)17-20(11-21,19(22)27)10-16-23-15-5-3-2-4-14(15)18(25)24(16)17/h2-9,17H,10H2,1H3,(H2,22,27)