3-(1,3-benzothiazol-2-yl)-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrazinamide Formula: C22H17ClN4O3S MolecularWeight: 452.91338

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4)Cl)OC1

InChI

InChI=1S/C22H17ClN4O3S/c23-14-10-13(11-16-20(14)30-9-3-8-29-16)12-26-21(28)18-19(25-7-6-24-18)22-27-15-4-1-2-5-17(15)31-22/h1-2,4-7,10-11H,3,8-9,12H2,(H,26,28)