N-methyl-N-[(4-methylsulfanylphenyl)methyl]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: 9-keto-N-methyl-N-[4-(methylthio)benzyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

InChI

InChI=1S/C21H21N3O2S/c1-23(13-14-5-8-16(27-2)9-6-14)20(25)15-7-10-17-18(12-15)22-19-4-3-11-24(19)21(17)26/h5-10,12H,3-4,11,13H2,1-2H3