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

Systemtic Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H21N3O3S/c1-3-11(4-2)16-19-20-17(24-16)18-15(21)12-6-7-13-14(10-12)23-9-5-8-22-13/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,20,21)