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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-11-6-4-9-16(12(11)2)22-19(25)17-13(3)21-20(28)23-18(17)14-7-5-8-15(10-14)24(26)27/h4-10,17-18H,3H2,1-2H3,(H,22,25)(H2,21,23,28)/t17-,18-/m0/s1