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

Systemtic Name: (4S)-N-(3,4-dimethylphenyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-N-(3,4-dimethylphenyl)-6-methyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-N-(3,4-dimethylphenyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-N-(3,4-dimethylphenyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-N-(3,4-dimethylphenyl)-6-methyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-11-7-8-15(9-12(11)2)22-19(25)17-13(3)21-20(28)23-18(17)14-5-4-6-16(10-14)24(26)27/h4-10,18H,1-3H3,(H,22,25)(H2,21,23,28)/t18-/m0/s1