N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4S/c19-13-4-5-16-15(18-13)23-9-14(20)17-10-2-3-11-12(8-10)22-7-1-6-21-11/h2-5,8H,1,6-7,9H2,(H,17,20)(H,16,18,19)