4-[[methyl-[(1S)-1-thiophen-2-ylethyl]amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[methyl-[(1S)-1-thiophen-2-ylethyl]amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[methyl-[(1S)-1-(2-thienyl)ethyl]amino]methyl]-3-nitro-benzamide CAS Name: 4-[[methyl-[(1S)-1-thiophen-2-ylethyl]amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[methyl-[(1S)-1-thiophen-2-ylethyl]amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[methyl-[(1S)-1-(2-thienyl)ethyl]amino]methyl]-3-nitro-benzamide Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N(C)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CS1)N(C)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O3S/c1-10(14-4-3-7-22-14)17(2)9-12-6-5-11(15(16)19)8-13(12)18(20)21/h3-8,10H,9H2,1-2H3,(H2,16,19)/t10-/m0/s1