4-[[(2,2-dimethyl-1-thiophen-2-yl-propyl)amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[(2,2-dimethyl-1-thiophen-2-yl-propyl)amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[[2,2-dimethyl-1-(2-thienyl)propyl]amino]methyl]-3-nitro-benzamide CAS Name: 4-[[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[[2,2-dimethyl-1-(2-thienyl)propyl]amino]methyl]-3-nitro-benzamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CC=CS1)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(C1=CC=CS1)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O3S/c1-17(2,3)15(14-5-4-8-24-14)19-10-12-7-6-11(16(18)21)9-13(12)20(22)23/h4-9,15,19H,10H2,1-3H3,(H2,18,21)