3-phenylpropyl 5-[(2,3-dimethylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2,3-dimethylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(2,3-dimethylphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(2,3-dimethylphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(2,3-dimethylphenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)C

InChI

InChI=1S/C23H28N2O3S/c1-17-9-6-13-20(18(17)2)24-23(29)25-21(26)14-7-15-22(27)28-16-8-12-19-10-4-3-5-11-19/h3-6,9-11,13H,7-8,12,14-16H2,1-2H3,(H2,24,25,26,29)