1,3-benzothiazol-6-yl-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H20N4O2S/c1-13-9-15(20-24-13)11-21-5-2-6-22(8-7-21)18(23)14-3-4-16-17(10-14)25-12-19-16/h3-4,9-10,12H,2,5-8,11H2,1H3