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

Systemtic Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-ethyl-benzamide Formula: C23H18ClN3O2S MolecularWeight: 435.92592

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN3O2S/c1-2-14-3-5-15(6-4-14)21(28)27-23(30)25-18-11-12-20-19(13-18)26-22(29-20)16-7-9-17(24)10-8-16/h3-13H,2H2,1H3,(H2,25,27,28,30)