2-[2-[(2-methoxy-5-methyl-phenyl)carbamothioyloxy]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[(2-methoxy-5-methyl-phenyl)carbamothioyloxy]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-[(2-methoxy-5-methyl-phenyl)carbamothioyloxy]ethylcarbamoyl]benzoic acid CAS Name: 2-[[2-[(2-methoxy-5-methylanilino)-sulfanylidenemethoxy]ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(2-methoxy-5-methylphenyl)carbamothioyloxy]ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-[(2-methoxy-5-methyl-phenyl)thiocarbamoyloxy]ethylcarbamoyl]benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)OCCNC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)OCCNC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H20N2O5S/c1-12-7-8-16(25-2)15(11-12)21-19(27)26-10-9-20-17(22)13-5-3-4-6-14(13)18(23)24/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,27)(H,23,24)