4-(azepan-1-yl)-N-methyl-3-nitro-N-(1-thiophen-2-ylethyl)benzamide

Systemtic Name: 4-(azepan-1-yl)-N-methyl-3-nitro-N-(1-thiophen-2-ylethyl)benzamide Openeye Name: 4-(azepan-1-yl)-N-methyl-3-nitro-N-[1-(2-thienyl)ethyl]benzamide CAS Name: 4-(1-azepanyl)-N-methyl-3-nitro-N-(1-thiophen-2-ylethyl)benzamide IUPAC Name: 4-(azepan-1-yl)-N-methyl-3-nitro-N-(1-thiophen-2-ylethyl)benzamide Traditional Name: 4-(azepan-1-yl)-N-methyl-3-nitro-N-[1-(2-thienyl)ethyl]benzamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N(C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CS1)N(C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O3S/c1-15(19-8-7-13-27-19)21(2)20(24)16-9-10-17(18(14-16)23(25)26)22-11-5-3-4-6-12-22/h7-10,13-15H,3-6,11-12H2,1-2H3