2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NN=C(S3)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NN=C(S3)N)OC1

InChI

InChI=1S/C13H14N4O3S2/c14-12-16-17-13(22-12)21-7-11(18)15-8-2-3-9-10(6-8)20-5-1-4-19-9/h2-3,6H,1,4-5,7H2,(H2,14,16)(H,15,18)