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

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-[(4-ethoxycarbonylphenyl)methyl]amino]-4-methyl-pentanoate Openeye Name: 2-[(3-chloro-4-methyl-phenyl)carbamothioyl-[(4-ethoxycarbonylphenyl)methyl]amino]-4-methyl-pentanoate CAS Name: 2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-[(4-ethoxycarbonylphenyl)methyl]amino]-4-methylpentanoate IUPAC Name: 2-[(3-chloro-4-methylphenyl)carbamothioyl-[(4-ethoxycarbonylphenyl)methyl]amino]-4-methylpentanoate Traditional Name: 2-[(4-carbethoxybenzyl)-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]amino]-4-methyl-valerate Formula: C24H28ClN2O4S- MolecularWeight: 476.00812

Click to see the large picture

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)C)Cl

Isomeric SMILES

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

InChI

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