(4S)-N-(4-bromophenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-N-(4-bromophenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-N-(4-bromophenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-N-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-N-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-N-(4-bromophenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H20BrN3O3S/c1-3-27-16-10-12(4-9-15(16)25)18-17(11(2)22-20(28)24-18)19(26)23-14-7-5-13(21)6-8-14/h4-10,18,25H,3H2,1-2H3,(H,23,26)(H2,22,24,28)/t18-/m0/s1