2-methoxyethyl 3,4-dimethyl-6-[3-[(4-pentylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 3,4-dimethyl-6-[3-[(4-pentylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 3,4-dimethyl-6-[3-[(4-pentylbenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[[oxo-(4-pentylphenyl)methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3,4-dimethyl-6-[3-[(4-pentylbenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-amylbenzoyl)amino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCCOC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCCOC

InChI

InChI=1S/C28H35N3O4S/c1-5-6-7-9-20-12-14-21(15-13-20)26(32)29-23-11-8-10-22(18-23)25-24(27(33)35-17-16-34-4)19(2)31(3)28(36)30-25/h8,10-15,18,25H,5-7,9,16-17H2,1-4H3,(H,29,32)(H,30,36)