N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-methyl-4-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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