2-methylpropyl 6-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 6-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C28H37N3O4S2 MolecularWeight: 543.74108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC(C)C)C

InChI

InChI=1S/C28H37N3O4S2/c1-8-31-19(4)24(26(32)35-17-18(2)3)25(29-27(31)36)20-9-13-22(14-10-20)30-37(33,34)23-15-11-21(12-16-23)28(5,6)7/h9-16,18,25,30H,8,17H2,1-7H3,(H,29,36)