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

Systemtic Name: N-phenethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-phenethyl-N-(thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-phenethyl-N-(2-thiazolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-phenethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-phenethyl-N-(thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N(CCC3=CC=CC=C3)CC4=NC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N(CCC3=CC=CC=C3)CC4=NC=CS4)OC1

InChI

InChI=1S/C22H22N2O3S/c25-22(18-7-8-19-20(15-18)27-13-4-12-26-19)24(16-21-23-10-14-28-21)11-9-17-5-2-1-3-6-17/h1-3,5-8,10,14-15H,4,9,11-13,16H2