N-[[2-(4-bromanyl-3-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-chloranyl-benzamide

Systemtic Name: N-[[2-(4-bromanyl-3-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-chloranyl-benzamide Openeye Name: N-[[2-(4-bromo-3-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-chloro-benzamide CAS Name: N-[[[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-chlorobenzamide IUPAC Name: N-[[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-chlorobenzamide Traditional Name: N-[[2-(4-bromo-3-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-chloro-benzamide Formula: C22H15BrClN3O2S MolecularWeight: 500.7954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C22H15BrClN3O2S/c1-12-10-14(4-8-17(12)23)21-26-18-11-16(7-9-19(18)29-21)25-22(30)27-20(28)13-2-5-15(24)6-3-13/h2-11H,1H3,(H2,25,27,28,30)