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

Systemtic Name: 5-(2-methyl-1,3-thiazol-4-yl)-N-[(4-octoxyphenyl)carbamothioyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(2-methylthiazol-4-yl)-N-[(4-octoxyphenyl)carbamothioyl]isoxazole-3-carboxamide CAS Name: 5-(2-methyl-4-thiazolyl)-N-[(4-octoxyanilino)-sulfanylidenemethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(2-methyl-1,3-thiazol-4-yl)-N-[(4-octoxyphenyl)carbamothioyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(2-methylthiazol-4-yl)-N-[(4-octoxyphenyl)thiocarbamoyl]isoxazole-3-carboxamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=NOC(=C2)C3=CSC(=N3)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=NOC(=C2)C3=CSC(=N3)C

InChI

InChI=1S/C23H28N4O3S2/c1-3-4-5-6-7-8-13-29-18-11-9-17(10-12-18)25-23(31)26-22(28)19-14-21(30-27-19)20-15-32-16(2)24-20/h9-12,14-15H,3-8,13H2,1-2H3,(H2,25,26,28,31)