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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-methyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-methyl-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-methylbenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-methyl-benzamide Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C20H26N2OS/c1-16-6-8-17(9-7-16)20(23)21-14-19(18-10-13-24-15-18)22-11-4-2-3-5-12-22/h6-10,13,15,19H,2-5,11-12,14H2,1H3,(H,21,23)