N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-thiazolylmethylthio)benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(thiazol-4-ylmethylthio)benzamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)SCC4=CSC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)SCC4=CSC=N4)OC1

InChI

InChI=1S/C20H18N2O3S2/c23-20(22-15-4-7-18-19(10-15)25-9-1-8-24-18)14-2-5-17(6-3-14)27-12-16-11-26-13-21-16/h2-7,10-11,13H,1,8-9,12H2,(H,22,23)