2-[(4-ethoxyphenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]-4-methyl-pentanoate

Systemtic Name: 2-[(4-ethoxyphenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]-4-methyl-pentanoate Openeye Name: 2-[(4-ethoxyphenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]-4-methyl-pentanoate CAS Name: 2-[(4-ethoxyphenyl)methyl-[(4-ethylanilino)-sulfanylidenemethyl]amino]-4-methylpentanoate IUPAC Name: 2-[(4-ethoxyphenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]-4-methylpentanoate Traditional Name: 2-[(4-ethoxybenzyl)-[(4-ethylphenyl)thiocarbamoyl]amino]-4-methyl-valerate Formula: C24H31N2O3S- MolecularWeight: 427.57954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)OCC)C(CC(C)C)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)OCC)C(CC(C)C)C(=O)[O-]

InChI

InChI=1S/C24H32N2O3S/c1-5-18-7-11-20(12-8-18)25-24(30)26(22(23(27)28)15-17(3)4)16-19-9-13-21(14-10-19)29-6-2/h7-14,17,22H,5-6,15-16H2,1-4H3,(H,25,30)(H,27,28)/p-1