2-[2-[(3-chloranyl-4-methyl-phenyl)carbamothioyloxy]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[(3-chloranyl-4-methyl-phenyl)carbamothioyloxy]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-[(3-chloro-4-methyl-phenyl)carbamothioyloxy]ethylcarbamoyl]benzoic acid CAS Name: 2-[[2-[(3-chloro-4-methylanilino)-sulfanylidenemethoxy]ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(3-chloro-4-methylphenyl)carbamothioyloxy]ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-[(3-chloro-4-methyl-phenyl)thiocarbamoyloxy]ethylcarbamoyl]benzoic acid Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4S/c1-11-6-7-12(10-15(11)19)21-18(26)25-9-8-20-16(22)13-4-2-3-5-14(13)17(23)24/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,26)(H,23,24)