N-[bis(phenylmethyl)carbamothioyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[bis(phenylmethyl)carbamothioyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-N-(dibenzylcarbamothioyl)-5-methyl-isoxazole-4-carboxamide CAS Name: N-[[bis(phenylmethyl)amino]-sulfanylidenemethyl]-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-N-(dibenzylcarbamothioyl)-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-N-(dibenzylthiocarbamoyl)-5-methyl-isoxazole-4-carboxamide Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H22ClN3O2S/c1-18-23(24(29-32-18)21-14-8-9-15-22(21)27)25(31)28-26(33)30(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3,(H,28,31,33)