(3-methyl-1-benzothiophen-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methyl-1-benzothiophen-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(3-methylbenzothiophen-2-yl)methanone CAS Name: (3-methyl-1-benzothiophen-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3-methylbenzothiophen-2-yl)methanone Formula: C22H24N2OS MolecularWeight: 364.50376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N2OS/c1-17-19-10-5-6-11-20(19)26-21(17)22(25)24-13-7-12-23(14-15-24)16-18-8-3-2-4-9-18/h2-6,8-11H,7,12-16H2,1H3