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

Systemtic Name: 2-[(3-methylphenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-thiophen-2-yl-ethanone Openeye Name: 2-[3-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2-thienyl)ethanone CAS Name: 2-[3-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-thiophen-2-ylethanone IUPAC Name: 2-[3-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-thiophen-2-ylethanone Traditional Name: 2-[3-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2-thienyl)ethanone Formula: C19H22N2OS MolecularWeight: 326.45578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(=O)C2=CC=CS2)C3=NCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(=O)C2=CC=CS2)C3=NCCCCC3

InChI

InChI=1S/C19H22N2OS/c1-15-7-5-8-16(13-15)21(19-10-3-2-4-11-20-19)14-17(22)18-9-6-12-23-18/h5-9,12-13H,2-4,10-11,14H2,1H3