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

Systemtic Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-5-iodo-benzoic acid Formula: C17H12ClIN2O3S MolecularWeight: 486.71125

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClIN2O3S/c18-11-4-1-10(2-5-11)3-8-15(22)21-17(25)20-14-7-6-12(19)9-13(14)16(23)24/h1-9H,(H,23,24)(H2,20,21,22,25)/b8-3+