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

Systemtic Name: 2-[(4-ethoxyphenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-ethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2-thienyl)ethanone CAS Name: 2-[4-ethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-ethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-thiophen-2-ylethanone Traditional Name: 2-[4-ethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2-thienyl)ethanone Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)C2=CC=CS2)C3=NCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)C2=CC=CS2)C3=NCCCCC3

InChI

InChI=1S/C20H24N2O2S/c1-2-24-17-11-9-16(10-12-17)22(20-8-4-3-5-13-21-20)15-18(23)19-7-6-14-25-19/h6-7,9-12,14H,2-5,8,13,15H2,1H3