N-[(3-hexoxyphenyl)carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[(3-hexoxyphenyl)carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[(3-hexoxyphenyl)carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[(3-hexoxyanilino)-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[(3-hexoxyphenyl)carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[(3-hexoxyphenyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C21H25IN2O2S MolecularWeight: 496.40487

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)I

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)I

InChI

InChI=1S/C21H25IN2O2S/c1-3-4-5-6-12-26-18-9-7-8-17(14-18)23-21(27)24-20(25)16-11-10-15(2)19(22)13-16/h7-11,13-14H,3-6,12H2,1-2H3,(H2,23,24,25,27)