N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-methyl-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C20H25N3O3S/c1-15-17(7-6-8-18(15)23(25)26)20(24)21-13-19(16-9-12-27-14-16)22-10-4-2-3-5-11-22/h6-9,12,14,19H,2-5,10-11,13H2,1H3,(H,21,24)