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

Systemtic Name: N-methylsulfanyl-N,3-bis(phenylmethyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide Openeye Name: N,3-dibenzyl-N-methylsulfanyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide CAS Name: N-(methylthio)-N,3-bis(phenylmethyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide IUPAC Name: N,3-dibenzyl-N-methylsulfanyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide Traditional Name: N,3-dibenzyl-N-(methylthio)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CSN(CC1=CC=CC=C1)C(=O)C2CC(C3=NC4=CC=CC=C4CN23)CC5=CC=CC=C5

Isomeric SMILES

CSN(CC1=CC=CC=C1)C(=O)C2CC(C3=NC4=CC=CC=C4CN23)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3OS/c1-32-30(18-21-12-6-3-7-13-21)27(31)25-17-23(16-20-10-4-2-5-11-20)26-28-24-15-9-8-14-22(24)19-29(25)26/h2-15,23,25H,16-19H2,1H3