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

Systemtic Name: 6-methyl-4-(2-octoxyphenyl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 6-methyl-4-(2-octoxyphenyl)-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 6-methyl-4-(2-octoxyphenyl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 6-methyl-4-(2-octoxyphenyl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 6-methyl-4-(2-octoxyphenyl)-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O2S/c1-3-4-5-6-7-13-18-31-22-17-12-11-16-21(22)24-23(19(2)27-26(32)29-24)25(30)28-20-14-9-8-10-15-20/h8-12,14-17,24H,3-7,13,18H2,1-2H3,(H,28,30)(H2,27,29,32)