N-[4,6-dimethyl-2-(methylsulfanylmethyl)-5-nitro-1-propyl-2,3-dihydroindol-7-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[4,6-dimethyl-2-(methylsulfanylmethyl)-5-nitro-1-propyl-2,3-dihydroindol-7-yl]-2,2-dimethyl-propanamide Openeye Name: N-[4,6-dimethyl-2-(methylsulfanylmethyl)-5-nitro-1-propyl-indolin-7-yl]-2,2-dimethyl-propanamide CAS Name: N-[4,6-dimethyl-2-[(methylthio)methyl]-5-nitro-1-propyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide IUPAC Name: N-[4,6-dimethyl-2-(methylsulfanylmethyl)-5-nitro-1-propyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide Traditional Name: N-[4,6-dimethyl-2-[(methylthio)methyl]-5-nitro-1-propyl-indolin-7-yl]-2,2-dimethyl-propionamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(CC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)[N+](=O)[O-])C)CSC

Isomeric SMILES

CCCN1C(CC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)[N+](=O)[O-])C)CSC

InChI

InChI=1S/C20H31N3O3S/c1-8-9-22-14(11-27-7)10-15-12(2)17(23(25)26)13(3)16(18(15)22)21-19(24)20(4,5)6/h14H,8-11H2,1-7H3,(H,21,24)