2-[(2,5-dimethoxyphenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[(2,5-dimethoxyphenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-thiophen-2-yl-ethanone Openeye Name: 2-[2,5-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2-thienyl)ethanone CAS Name: 2-[2,5-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-thiophen-2-ylethanone IUPAC Name: 2-[2,5-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-thiophen-2-ylethanone Traditional Name: 2-[2,5-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2-thienyl)ethanone Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N(CC(=O)C2=CC=CS2)C3=NCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N(CC(=O)C2=CC=CS2)C3=NCCCCC3

InChI

InChI=1S/C20H24N2O3S/c1-24-15-9-10-18(25-2)16(13-15)22(20-8-4-3-5-11-21-20)14-17(23)19-7-6-12-26-19/h6-7,9-10,12-13H,3-5,8,11,14H2,1-2H3