4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)benzamide Formula: C26H21N5O2S MolecularWeight: 467.54224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6N5)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6N5)C(=O)N2C1

InChI

InChI=1S/C26H21N5O2S/c32-24(27-18-11-12-20-19(14-18)25(33)31-13-3-6-23(31)28-20)17-9-7-16(8-10-17)15-34-26-29-21-4-1-2-5-22(21)30-26/h1-2,4-5,7-12,14H,3,6,13,15H2,(H,27,32)(H,29,30)