N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C17H15F3N4O4S MolecularWeight: 428.38561

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)NC(=O)CSC3=NC=CC(=N3)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)NC(=O)CSC3=NC=CC(=N3)C(F)(F)F)OC1

InChI

InChI=1S/C17H15F3N4O4S/c18-17(19,20)13-4-5-21-16(23-13)29-9-14(25)24-15(26)22-10-2-3-11-12(8-10)28-7-1-6-27-11/h2-5,8H,1,6-7,9H2,(H2,22,24,25,26)