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

Systemtic Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-ethyl-benzamide Formula: C23H18BrN3O2S MolecularWeight: 480.37692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br

InChI

InChI=1S/C23H18BrN3O2S/c1-2-14-7-9-15(10-8-14)21(28)27-23(30)25-16-11-12-20-19(13-16)26-22(29-20)17-5-3-4-6-18(17)24/h3-13H,2H2,1H3,(H2,25,27,28,30)