N-methyl-4-[[methyl-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]methyl]benzamide

Systemtic Name: N-methyl-4-[[methyl-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]methyl]benzamide Openeye Name: N-methyl-4-[[methyl-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]methyl]benzamide CAS Name: N-methyl-4-[[methyl-[(2R)-2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]methyl]benzamide IUPAC Name: N-methyl-4-[[methyl-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]methyl]benzamide Traditional Name: N-methyl-4-[[methyl-[(2R)-2-[(4-nitrophenyl)thio]propanoyl]amino]methyl]benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-13(27-17-10-8-16(9-11-17)22(25)26)19(24)21(3)12-14-4-6-15(7-5-14)18(23)20-2/h4-11,13H,12H2,1-3H3,(H,20,23)/t13-/m1/s1