N-[2-[[(1R)-2-methyl-1-thiophen-2-yl-propyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[(1R)-2-methyl-1-thiophen-2-yl-propyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]ethyl]-3-nitro-benzamide Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C1=CC=CS1)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S/c1-11(2)16(14-7-4-8-25-14)19-15(21)10-18-17(22)12-5-3-6-13(9-12)20(23)24/h3-9,11,16H,10H2,1-2H3,(H,18,22)(H,19,21)/t16-/m1/s1