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

Systemtic Name: 2-[(4-methylphenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2-thienyl)ethanone CAS Name: 2-[4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-thiophen-2-ylethanone Traditional Name: 2-[4-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=C(C=C1)N(CC(=O)C2=CC=CS2)C3=NCCCCC3

Isomeric SMILES

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

InChI

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