propan-2-yl 3,4-dimethyl-6-[4-(octylsulfonylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3,4-dimethyl-6-[4-(octylsulfonylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3,4-dimethyl-6-[4-(octylsulfonylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[4-(octylsulfonylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3,4-dimethyl-6-[4-(octylsulfonylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[4-(octylsulfonylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C24H37N3O4S2 MolecularWeight: 495.69828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OC(C)C

InChI

InChI=1S/C24H37N3O4S2/c1-6-7-8-9-10-11-16-33(29,30)26-20-14-12-19(13-15-20)22-21(23(28)31-17(2)3)18(4)27(5)24(32)25-22/h12-15,17,22,26H,6-11,16H2,1-5H3,(H,25,32)