3-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(3-chloro-4-methyl-benzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(3-chloro-4-methylbenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(3-chloro-4-methyl-benzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC)Cl

InChI

InChI=1S/C17H15ClN2O4S/c1-9-3-4-10(7-12(9)18)15(21)20-17(25)19-13-8-11(16(22)23)5-6-14(13)24-2/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,25)