6-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 6-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N,4-trimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N,4-trimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)Br)C(=O)N(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)Br)C(=O)N(C)C

InChI

InChI=1S/C22H22BrN3O3S/c1-13-19(21(27)25(2)3)20(14-4-6-15(23)7-5-14)24-22(30)26(13)16-8-9-17-18(12-16)29-11-10-28-17/h4-9,12,20H,10-11H2,1-3H3,(H,24,30)