(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (6-methyl-2,3-dihydrobenzothiophen-2-yl)-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [4-(2-methylbenzyl)-1,4-diazepan-1-yl]-(6-methyl-2,3-dihydrobenzothiophen-2-yl)methanone Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4C)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4C)C=C1

InChI

InChI=1S/C23H28N2OS/c1-17-8-9-19-15-22(27-21(19)14-17)23(26)25-11-5-10-24(12-13-25)16-20-7-4-3-6-18(20)2/h3-4,6-9,14,22H,5,10-13,15-16H2,1-2H3