1,3-benzothiazol-6-yl-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methanone Formula: C20H22N4OS MolecularWeight: 366.47988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H22N4OS/c1-15-4-2-5-17(22-15)13-23-8-3-9-24(11-10-23)20(25)16-6-7-18-19(12-16)26-14-21-18/h2,4-7,12,14H,3,8-11,13H2,1H3