N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(3-methyl-4-pyrrolidino-phenyl)-2-[(4-nitrophenyl)thio]propionamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H23N3O3S/c1-14-13-16(5-10-19(14)22-11-3-4-12-22)21-20(24)15(2)27-18-8-6-17(7-9-18)23(25)26/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,21,24)