N-[[2-[2,5-bis(chloranyl)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloranyl-benzamide

Systemtic Name: N-[[2-[2,5-bis(chloranyl)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloranyl-benzamide Openeye Name: 2-chloro-N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 2-chloro-N-[[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 2-chloro-N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C21H12Cl3N3O2S MolecularWeight: 476.76288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12Cl3N3O2S/c22-11-5-7-16(24)14(9-11)20-26-17-10-12(6-8-18(17)29-20)25-21(30)27-19(28)13-3-1-2-4-15(13)23/h1-10H,(H2,25,27,28,30)