2-[(4-chloranyl-3-methyl-phenyl)carbamothioyl-[(4-ethoxycarbonylphenyl)methyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(4-chloranyl-3-methyl-phenyl)carbamothioyl-[(4-ethoxycarbonylphenyl)methyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[(4-chloro-3-methyl-phenyl)carbamothioyl-[(4-ethoxycarbonylphenyl)methyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[(4-chloro-3-methylanilino)-sulfanylidenemethyl]-[(4-ethoxycarbonylphenyl)methyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(4-chloro-3-methylphenyl)carbamothioyl-[(4-ethoxycarbonylphenyl)methyl]amino]-4-methylpentanoic acid Traditional Name: 2-[(4-carbethoxybenzyl)-[(4-chloro-3-methyl-phenyl)thiocarbamoyl]amino]-4-methyl-valeric acid Formula: C24H29ClN2O4S MolecularWeight: 477.01606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(C(CC(C)C)C(=O)O)C(=S)NC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(C(CC(C)C)C(=O)O)C(=S)NC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C24H29ClN2O4S/c1-5-31-23(30)18-8-6-17(7-9-18)14-27(21(22(28)29)12-15(2)3)24(32)26-19-10-11-20(25)16(4)13-19/h6-11,13,15,21H,5,12,14H2,1-4H3,(H,26,32)(H,28,29)