2-[(3-butoxyphenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-[(3-butoxyphenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(3-butoxybenzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(3-butoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(3-butoxybenzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C19H18I2N2O4S MolecularWeight: 624.23116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

InChI

InChI=1S/C19H18I2N2O4S/c1-2-3-7-27-13-6-4-5-11(8-13)17(24)23-19(28)22-16-14(18(25)26)9-12(20)10-15(16)21/h4-6,8-10H,2-3,7H2,1H3,(H,25,26)(H2,22,23,24,28)