3-iodanyl-4-methoxy-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-allyloxyphenyl)carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: 3-iodo-4-methoxy-N-[(3-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-allyloxyphenyl)thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C18H17IN2O3S MolecularWeight: 468.30865

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC=C)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC=C)I

InChI

InChI=1S/C18H17IN2O3S/c1-3-9-24-14-6-4-5-13(11-14)20-18(25)21-17(22)12-7-8-16(23-2)15(19)10-12/h3-8,10-11H,1,9H2,2H3,(H2,20,21,22,25)