N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C19H17N3O3S MolecularWeight: 367.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C19H17N3O3S/c23-18(14-7-8-15-16(12-14)25-10-4-9-24-15)20-19-22-21-17(26-19)11-13-5-2-1-3-6-13/h1-3,5-8,12H,4,9-11H2,(H,20,22,23)