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

Systemtic Name: (4S)-4-(3-bromophenyl)-N-(3,5-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-4-(3-bromophenyl)-N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-(3-bromophenyl)-N-(3,5-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-4-(3-bromophenyl)-N-(3,5-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-4-(3-bromophenyl)-N-(3,5-dimethylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=CC=C3)Br)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(NC(=S)N[C@H]2C3=CC(=CC=C3)Br)C)C

InChI

InChI=1S/C20H20BrN3OS/c1-11-7-12(2)9-16(8-11)23-19(25)17-13(3)22-20(26)24-18(17)14-5-4-6-15(21)10-14/h4-10,18H,1-3H3,(H,23,25)(H2,22,24,26)/t18-/m0/s1