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

Systemtic Name: N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(3-phenylpropyl)-N-(thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(3-phenylpropyl)-N-(2-thiazolylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(3-phenylpropyl)-N-(thiazol-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N(CCCC3=CC=CC=C3)CC4=NC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N(CCCC3=CC=CC=C3)CC4=NC=CS4)OC1

InChI

InChI=1S/C23H24N2O3S/c26-23(19-9-10-20-21(16-19)28-14-5-13-27-20)25(17-22-24-11-15-29-22)12-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-11,15-16H,4-5,8,12-14,17H2