2-[(4-ethoxycarbonylphenyl)methyl-[(4-phenoxyphenyl)carbamothioyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(4-ethoxycarbonylphenyl)methyl-[(4-phenoxyphenyl)carbamothioyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[(4-ethoxycarbonylphenyl)methyl-[(4-phenoxyphenyl)carbamothioyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[(4-ethoxycarbonylphenyl)methyl-[(4-phenoxyanilino)-sulfanylidenemethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(4-ethoxycarbonylphenyl)methyl-[(4-phenoxyphenyl)carbamothioyl]amino]-4-methylpentanoic acid Traditional Name: 2-[(4-carbethoxybenzyl)-[(4-phenoxyphenyl)thiocarbamoyl]amino]-4-methyl-valeric acid Formula: C29H32N2O5S MolecularWeight: 520.63978

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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)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(C(CC(C)C)C(=O)O)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C29H32N2O5S/c1-4-35-28(34)22-12-10-21(11-13-22)19-31(26(27(32)33)18-20(2)3)29(37)30-23-14-16-25(17-15-23)36-24-8-6-5-7-9-24/h5-17,20,26H,4,18-19H2,1-3H3,(H,30,37)(H,32,33)