2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(E)-3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[[(E)-3-(2,4-dichlorophenyl)acryloyl]thiocarbamoylamino]-5-iodo-benzoic acid Formula: C17H11Cl2IN2O3S MolecularWeight: 521.15631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C17H11Cl2IN2O3S/c18-10-3-1-9(13(19)7-10)2-6-15(23)22-17(26)21-14-5-4-11(20)8-12(14)16(24)25/h1-8H,(H,24,25)(H2,21,22,23,26)/b6-2+