[4-(5-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone

Systemtic Name: [4-(5-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone Openeye Name: [4-(5-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-tetrahydropyran-4-yl-methanone CAS Name: [4-(5-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(4-oxanyl)methanone IUPAC Name: [4-(5-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone Traditional Name: [4-(5-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-tetrahydropyran-4-yl-methanone Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCOCC2)C3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCOCC2)C3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C18H22ClN3O2S/c19-14-2-3-16-15(12-14)20-18(25-16)22-7-1-6-21(8-9-22)17(23)13-4-10-24-11-5-13/h2-3,12-13H,1,4-11H2