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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3,4-dimethyl-benzamide Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2OS/c1-16-7-8-18(13-17(16)2)21(24)22-14-20(19-9-12-25-15-19)23-10-5-3-4-6-11-23/h7-9,12-13,15,20H,3-6,10-11,14H2,1-2H3,(H,22,24)