3-phenylpropyl 5-oxidanylidene-5-[(2,4,6-trimethylphenyl)carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(2,4,6-trimethylphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[(2,4,6-trimethylphenyl)carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[(2,4,6-trimethylphenyl)carbamothioylamino]pentanoate Traditional Name: 5-keto-5-(mesitylthiocarbamoylamino)valeric acid 3-phenylpropyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3S/c1-17-15-18(2)23(19(3)16-17)26-24(30)25-21(27)12-7-13-22(28)29-14-8-11-20-9-5-4-6-10-20/h4-6,9-10,15-16H,7-8,11-14H2,1-3H3,(H2,25,26,27,30)