5-(2-methyl-1,3-thiazol-4-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(2-methyl-1,3-thiazol-4-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-5-(2-methylthiazol-4-yl)isoxazole-3-carboxamide CAS Name: 5-(2-methyl-4-thiazolyl)-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(2-methyl-1,3-thiazol-4-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-5-(2-methylthiazol-4-yl)isoxazole-3-carboxamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=NO2)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=NO2)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O3S2/c1-14-23-19(13-31-14)20-11-18(26-29-20)21(27)25-22(30)24-16-8-5-9-17(10-16)28-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H2,24,25,27,30)