6-chloranyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C19H16ClN3O3S2 MolecularWeight: 433.93164

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C19H16ClN3O3S2/c20-14-9-13(10-15-16(14)26-8-4-7-25-15)17(24)21-18-22-23-19(28-18)27-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H,21,22,24)