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

Systemtic Name: 3-iodanyl-4-methyl-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-allyloxyphenyl)carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: 3-iodo-4-methyl-N-[(3-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-allyloxyphenyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C18H17IN2O2S MolecularWeight: 452.30925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC=C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC=C)I

InChI

InChI=1S/C18H17IN2O2S/c1-3-9-23-15-6-4-5-14(11-15)20-18(24)21-17(22)13-8-7-12(2)16(19)10-13/h3-8,10-11H,1,9H2,2H3,(H2,20,21,22,24)