9-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Systemtic Name: 9-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: 9-oxo-N-[2-(phenylmethylthio)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-9-keto-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:

C1CC2=NC3=C(C=CC(=C3)C(=O)NCCSCC4=CC=CC=C4)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)NCCSCC4=CC=CC=C4)C(=O)N2C1

InChI

InChI=1S/C21H21N3O2S/c25-20(22-10-12-27-14-15-5-2-1-3-6-15)16-8-9-17-18(13-16)23-19-7-4-11-24(19)21(17)26/h1-3,5-6,8-9,13H,4,7,10-12,14H2,(H,22,25)