2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3-methylbenzothiophen-2-yl)-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3-methylbenzothiophen-2-yl)-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C21H25N3OS2 MolecularWeight: 399.5727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC4=CSC(=N4)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC4=CSC(=N4)C

InChI

InChI=1S/C21H25N3OS2/c1-15-18-6-3-4-7-19(18)27-20(15)12-21(25)24-9-5-8-23(10-11-24)13-17-14-26-16(2)22-17/h3-4,6-7,14H,5,8-13H2,1-2H3