1-(2,3-dihydro-1,4-benzodithiin-5-ylsulfonyl)-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodithiin-5-ylsulfonyl)-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea Openeye Name: 1-(2,3-dihydro-1,4-benzodithiin-5-ylsulfonyl)-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea CAS Name: 1-(2,3-dihydro-1,4-benzodithiin-5-ylsulfonyl)-3-(4-methoxy-6-methyl-2-pyrimidinyl)urea IUPAC Name: 1-(2,3-dihydro-1,4-benzodithiin-5-ylsulfonyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)urea Traditional Name: 1-(2,3-dihydro-1,4-benzodithiin-5-ylsulfonyl)-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea Formula: C15H16N4O4S3 MolecularWeight: 412.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC3=C2SCCS3)OC

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC3=C2SCCS3)OC

InChI

InChI=1S/C15H16N4O4S3/c1-9-8-12(23-2)17-14(16-9)18-15(20)19-26(21,22)11-5-3-4-10-13(11)25-7-6-24-10/h3-5,8H,6-7H2,1-2H3,(H2,16,17,18,19,20)