N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-phenyl-2-thiazolyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-phenylthiazol-2-yl)thio]acetamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC(=CS3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC(=CS3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C20H18N2O3S2/c23-19(21-15-7-8-17-18(11-15)25-10-4-9-24-17)13-27-20-22-16(12-26-20)14-5-2-1-3-6-14/h1-3,5-8,11-12H,4,9-10,13H2,(H,21,23)