N-[(5-iodanyl-6-methyl-pyridin-2-yl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(5-iodanyl-6-methyl-pyridin-2-yl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(5-iodo-6-methyl-2-pyridyl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[(5-iodo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(5-iodo-6-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(5-iodo-6-methyl-2-pyridyl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C17H18IN3OS MolecularWeight: 439.31379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C)I

Isomeric SMILES

CC1=C(C=CC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C)I

InChI

InChI=1S/C17H18IN3OS/c1-10(2)12-4-6-13(7-5-12)16(22)21-17(23)20-15-9-8-14(18)11(3)19-15/h4-10H,1-3H3,(H2,19,20,21,22,23)