2-methoxy-4-[(4S,5R)-6-methylidene-5-[(4-methylphenyl)carbamoyl]-2-sulfanylidene-1,3-diazinan-4-yl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(4S,5R)-6-methylidene-5-[(4-methylphenyl)carbamoyl]-2-sulfanylidene-1,3-diazinan-4-yl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(4S,5R)-6-methylene-5-(p-tolylcarbamoyl)-2-thioxo-hexahydropyrimidin-4-yl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(4S,5R)-5-[(4-methylanilino)-oxomethyl]-6-methylene-2-sulfanylidene-1,3-diazinan-4-yl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(4S,5R)-6-methylidene-5-[(4-methylphenyl)carbamoyl]-2-sulfanylidene-1,3-diazinan-4-yl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[(4S,5R)-6-methylene-5-(p-tolylcarbamoyl)-2-thioxo-hexahydropyrimidin-4-yl]-6-nitro-phenolate Formula: C20H19N4O5S- MolecularWeight: 427.45366

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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)/p-1/t16-,17+/m0/s1