3-iodanyl-N-methylsulfanyl-N-(phenylmethyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide

Systemtic Name: 3-iodanyl-N-methylsulfanyl-N-(phenylmethyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide Openeye Name: N-benzyl-3-iodo-N-methylsulfanyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide CAS Name: 3-iodo-N-(methylthio)-N-(phenylmethyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide IUPAC Name: N-benzyl-3-iodo-N-methylsulfanyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide Traditional Name: N-benzyl-3-iodo-N-(methylthio)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide Formula: C20H20IN3OS MolecularWeight: 477.36177

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Descriptors Computed from Structure

Canonical SMILES:

CSN(CC1=CC=CC=C1)C(=O)C2CC(C3=NC4=CC=CC=C4CN23)I

Isomeric SMILES

CSN(CC1=CC=CC=C1)C(=O)C2CC(C3=NC4=CC=CC=C4CN23)I

InChI

InChI=1S/C20H20IN3OS/c1-26-24(12-14-7-3-2-4-8-14)20(25)18-11-16(21)19-22-17-10-6-5-9-15(17)13-23(18)19/h2-10,16,18H,11-13H2,1H3