(5S,6S)-N-(3,5-dimethylphenyl)-4-methylidene-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (5S,6S)-N-(3,5-dimethylphenyl)-4-methylidene-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (5S,6S)-N-(3,5-dimethylphenyl)-4-methylene-6-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5S,6S)-N-(3,5-dimethylphenyl)-4-methylene-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (5S,6S)-N-(3,5-dimethylphenyl)-4-methylidene-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (5S,6S)-N-(3,5-dimethylphenyl)-4-methylene-6-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2C(NC(=S)NC2=C)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@H]2[C@H](NC(=S)NC2=C)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O3S/c1-11-8-12(2)10-15(9-11)22-19(25)17-13(3)21-20(28)23-18(17)14-4-6-16(7-5-14)24(26)27/h4-10,17-18H,3H2,1-2H3,(H,22,25)(H2,21,23,28)/t17-,18-/m1/s1