N-[[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: N-[[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C23H11BrCl3N3O2S2 MolecularWeight: 611.74534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)N=C(O2)C5=C(C=CC(=C5)Br)Cl

Isomeric SMILES

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)N=C(O2)C5=C(C=CC(=C5)Br)Cl

InChI

InChI=1S/C23H11BrCl3N3O2S2/c24-10-1-5-15(26)14(7-10)22-29-16-9-12(3-6-17(16)32-22)28-23(33)30-21(31)20-19(27)13-4-2-11(25)8-18(13)34-20/h1-9H,(H2,28,30,31,33)