3-(2-chlorophenyl)-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-5-methyl-isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]-5-methyl-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]-5-methyl-isoxazole-4-carboxamide Formula: C19H15ClN4O5S MolecularWeight: 446.8642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN4O5S/c1-10-16(17(23-29-10)12-5-3-4-6-13(12)20)18(25)22-19(30)21-11-7-8-15(28-2)14(9-11)24(26)27/h3-9H,1-2H3,(H2,21,22,25,30)