ethyl 3-[(4-fluorophenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]-4-methyl-pentanoate

Systemtic Name: ethyl 3-[(4-fluorophenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]-4-methyl-pentanoate Openeye Name: ethyl 3-[(4-fluorophenyl)methyl-(m-tolylcarbamothioyl)amino]-4-methyl-pentanoate CAS Name: 3-[(4-fluorophenyl)methyl-[(3-methylanilino)-sulfanylidenemethyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]-4-methylpentanoate Traditional Name: 3-[(4-fluorobenzyl)-(m-tolylthiocarbamoyl)amino]-4-methyl-valeric acid ethyl ester Formula: C23H29FN2O2S MolecularWeight: 416.551963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C)C)N(CC1=CC=C(C=C1)F)C(=S)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)CC(C(C)C)N(CC1=CC=C(C=C1)F)C(=S)NC2=CC=CC(=C2)C

InChI

InChI=1S/C23H29FN2O2S/c1-5-28-22(27)14-21(16(2)3)26(15-18-9-11-19(24)12-10-18)23(29)25-20-8-6-7-17(4)13-20/h6-13,16,21H,5,14-15H2,1-4H3,(H,25,29)