N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C23H18FN3O2S MolecularWeight: 419.471323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4F)C

InChI

InChI=1S/C23H18FN3O2S/c1-13-7-8-15(11-14(13)2)21(28)27-23(30)25-16-9-10-20-19(12-16)26-22(29-20)17-5-3-4-6-18(17)24/h3-12H,1-2H3,(H2,25,27,28,30)