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

Systemtic Name: N-methylsulfanyl-N-(phenylmethyl)-3-propan-2-ylsulfonyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide Openeye Name: N-benzyl-3-isopropylsulfonyl-N-methylsulfanyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide CAS Name: N-(methylthio)-N-(phenylmethyl)-3-propan-2-ylsulfonyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide IUPAC Name: N-benzyl-N-methylsulfanyl-3-propan-2-ylsulfonyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide Traditional Name: N-benzyl-3-isopropylsulfonyl-N-(methylthio)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CC(N2C1=NC3=CC=CC=C3C2)C(=O)N(CC4=CC=CC=C4)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1CC(N2C1=NC3=CC=CC=C3C2)C(=O)N(CC4=CC=CC=C4)SC

InChI

InChI=1S/C23H27N3O3S2/c1-16(2)31(28,29)21-13-20(23(27)26(30-3)14-17-9-5-4-6-10-17)25-15-18-11-7-8-12-19(18)24-22(21)25/h4-12,16,20-21H,13-15H2,1-3H3