N-[5-(phenylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[5-(phenylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(5-benzylthiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[5-(phenylmethyl)-2-thiazolyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(5-benzylthiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C20H18N2O3S/c23-19(15-7-8-17-18(12-15)25-10-4-9-24-17)22-20-21-13-16(26-20)11-14-5-2-1-3-6-14/h1-3,5-8,12-13H,4,9-11H2,(H,21,22,23)