6-methyl-4-(4-pentoxyphenyl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 6-methyl-4-(4-pentoxyphenyl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 6-methyl-4-(4-pentoxyphenyl)-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 6-methyl-4-(4-pentoxyphenyl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 6-methyl-4-(4-pentoxyphenyl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-amoxyphenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-3-4-8-15-28-19-13-11-17(12-14-19)21-20(16(2)24-23(29)26-21)22(27)25-18-9-6-5-7-10-18/h5-7,9-14,21H,3-4,8,15H2,1-2H3,(H,25,27)(H2,24,26,29)