3-phenylpropyl 4-(tert-butylcarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-(tert-butylcarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(tert-butylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(tert-butylamino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(tert-butylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(tert-butylthiocarbamoylamino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC(=O)CCC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)NC(=S)NC(=O)CCC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C18H26N2O3S/c1-18(2,3)20-17(24)19-15(21)11-12-16(22)23-13-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H2,19,20,21,24)