3-iodanyl-4-methoxy-N-(prop-2-enylcarbamothioyl)benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-(prop-2-enylcarbamothioyl)benzamide Openeye Name: N-(allylcarbamothioyl)-3-iodo-4-methoxy-benzamide CAS Name: 3-iodo-4-methoxy-N-[(prop-2-enylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-(prop-2-enylcarbamothioyl)benzamide Traditional Name: N-(allylthiocarbamoyl)-3-iodo-4-methoxy-benzamide Formula: C12H13IN2O2S MolecularWeight: 376.21329

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NCC=C)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NCC=C)I

InChI

InChI=1S/C12H13IN2O2S/c1-3-6-14-12(18)15-11(16)8-4-5-10(17-2)9(13)7-8/h3-5,7H,1,6H2,2H3,(H2,14,15,16,18)