3-chloranyl-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide

Systemtic Name: 3-chloranyl-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Openeye Name: 3-chloro-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide CAS Name: 3-chloro-N-[[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-chloro-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Traditional Name: 3-chloro-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]propionamide Formula: C17H12Cl3N3O2S MolecularWeight: 428.72008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=S)NC(=O)CCCl)N=C(O2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC2=C(C=C1NC(=S)NC(=O)CCCl)N=C(O2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H12Cl3N3O2S/c18-6-5-15(24)23-17(26)21-10-2-4-14-13(8-10)22-16(25-14)11-3-1-9(19)7-12(11)20/h1-4,7-8H,5-6H2,(H2,21,23,24,26)