N-(2-methylpropyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(2-methylpropyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-isobutyl-N-(thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(2-methylpropyl)-N-(2-thiazolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(2-methylpropyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-isobutyl-N-(thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=NC=CS1)C(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)CN(CC1=NC=CS1)C(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H22N2O3S/c1-13(2)11-20(12-17-19-6-9-24-17)18(21)14-4-5-15-16(10-14)23-8-3-7-22-15/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3