(4S,5R)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methylidene-N-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5R)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methylidene-N-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-6-methylene-N-(p-tolyl)-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methylene-N-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methylidene-N-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-6-methylene-N-(p-tolyl)-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S/c1-10-4-6-13(7-5-10)22-19(26)16-11(2)21-20(30)23-17(16)12-8-14(24(27)28)18(25)15(9-12)29-3/h4-9,16-17,25H,2H2,1,3H3,(H,22,26)(H2,21,23,30)/t16-,17+/m0/s1