(6S)-6-(4-chloranyl-3-nitro-phenyl)-N-(3-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: (6S)-6-(4-chloranyl-3-nitro-phenyl)-N-(3-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: (6S)-6-(4-chloro-3-nitro-phenyl)-N-(3-methoxyphenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: (6S)-6-(4-chloro-3-nitrophenyl)-N-(3-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: (6S)-6-(4-chloro-3-nitrophenyl)-N-(3-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: (6S)-6-(4-chloro-3-nitro-phenyl)-N-(3-methoxyphenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H19ClN4O4S/c1-11-17(19(26)22-13-5-4-6-14(10-13)29-3)18(23-20(30)24(11)2)12-7-8-15(21)16(9-12)25(27)28/h4-10,18H,1-3H3,(H,22,26)(H,23,30)/t18-/m0/s1