(2-azanyl-1,3-benzothiazol-5-yl)-[4-(2-methylpyridin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-azanyl-1,3-benzothiazol-5-yl)-[4-(2-methylpyridin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(2-methyl-4-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(2-methylpyridin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-amino-1,3-benzothiazol-5-yl)-[4-(2-methyl-4-pyridyl)-1,4-diazepan-1-yl]methanone Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)SC(=N4)N

Isomeric SMILES

CC1=NC=CC(=C1)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)SC(=N4)N

InChI

InChI=1S/C19H21N5OS/c1-13-11-15(5-6-21-13)23-7-2-8-24(10-9-23)18(25)14-3-4-17-16(12-14)22-19(20)26-17/h3-6,11-12H,2,7-10H2,1H3,(H2,20,22)