4-tert-butyl-N-[(5-iodanyl-3-methyl-pyridin-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(5-iodanyl-3-methyl-pyridin-2-yl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(5-iodo-3-methyl-2-pyridyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(5-iodo-3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(5-iodo-3-methylpyridin-2-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(5-iodo-3-methyl-2-pyridyl)thiocarbamoyl]benzamide Formula: C18H20IN3OS MolecularWeight: 453.34037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)I

Isomeric SMILES

CC1=CC(=CN=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)I

InChI

InChI=1S/C18H20IN3OS/c1-11-9-14(19)10-20-15(11)21-17(24)22-16(23)12-5-7-13(8-6-12)18(2,3)4/h5-10H,1-4H3,(H2,20,21,22,23,24)