N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-iodo-benzamide Formula: C24H20IN3O2S MolecularWeight: 541.40397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4I)C

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4I)C

InChI

InChI=1S/C24H20IN3O2S/c1-13-11-20-21(12-14(13)2)30-23(26-20)16-8-6-10-19(15(16)3)27-24(31)28-22(29)17-7-4-5-9-18(17)25/h4-12H,1-3H3,(H2,27,28,29,31)