3-phenylpropyl 4-[(3,5-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(3,5-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(3,5-dimethylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(3,5-dimethylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3,5-dimethylphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-16-13-17(2)15-19(14-16)23-22(28)24-20(25)10-11-21(26)27-12-6-9-18-7-4-3-5-8-18/h3-5,7-8,13-15H,6,9-12H2,1-2H3,(H2,23,24,25,28)