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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C22H15ClIN3O2S MolecularWeight: 547.79587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H15ClIN3O2S/c1-12-14(21-25-18-6-2-3-8-19(18)29-21)5-4-7-17(12)26-22(30)27-20(28)15-11-13(24)9-10-16(15)23/h2-11H,1H3,(H2,26,27,28,30)