N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1CNC(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)OCCCO2

Isomeric SMILES

COC1=CC2=C(C=C1CNC(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)OCCCO2

InChI

InChI=1S/C23H23N3O5S/c1-29-18-12-20-19(30-8-5-9-31-20)10-16(18)13-24-22(28)14-32-23-25-17(11-21(27)26-23)15-6-3-2-4-7-15/h2-4,6-7,10-12H,5,8-9,13-14H2,1H3,(H,24,28)(H,25,26,27)