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

Systemtic Name: (4S)-N-(5-chloranyl-2-methyl-phenyl)-4-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-N-(5-chloro-2-methyl-phenyl)-4-(4-ethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-N-(5-chloro-2-methylphenyl)-4-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-N-(5-chloro-2-methylphenyl)-4-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-N-(5-chloro-2-methyl-phenyl)-6-methyl-4-p-phenetyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-4-27-16-9-6-14(7-10-16)19-18(13(3)23-21(28)25-19)20(26)24-17-11-15(22)8-5-12(17)2/h5-11,19H,4H2,1-3H3,(H,24,26)(H2,23,25,28)/t19-/m0/s1