N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[2-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[2-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C20H22IN3O2S MolecularWeight: 495.37705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)(C)C)I

InChI

InChI=1S/C20H22IN3O2S/c1-12-9-10-13(11-15(12)21)17(25)23-19(27)22-16-8-6-5-7-14(16)18(26)24-20(2,3)4/h5-11H,1-4H3,(H,24,26)(H2,22,23,25,27)