3-phenylpropyl 4-oxidanylidene-4-[(2,4,6-trimethylphenyl)carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(2,4,6-trimethylphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[(2,4,6-trimethylphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(2,4,6-trimethylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-(mesitylthiocarbamoylamino)butyric acid 3-phenylpropyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c1-16-14-17(2)22(18(3)15-16)25-23(29)24-20(26)11-12-21(27)28-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H2,24,25,26,29)