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

Systemtic Name: 4-chloranyl-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]butyramide Formula: C18H14Cl3N3O2S MolecularWeight: 442.74666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl3N3O2S/c19-7-1-2-16(25)24-18(27)22-11-4-6-15-14(9-11)23-17(26-15)12-5-3-10(20)8-13(12)21/h3-6,8-9H,1-2,7H2,(H2,22,24,25,27)