propan-2-yl 6-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 6-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[4-(piperonyloylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC(C)C)C

InChI

InChI=1S/C25H27N3O5S/c1-5-28-15(4)21(24(30)33-14(2)3)22(27-25(28)34)16-6-9-18(10-7-16)26-23(29)17-8-11-19-20(12-17)32-13-31-19/h6-12,14,22H,5,13H2,1-4H3,(H,26,29)(H,27,34)