3-methylsulfanylpropyl 2-(cyclobutylcarbothioylamino)-3-phenyl-propanoate

Systemtic Name: 3-methylsulfanylpropyl 2-(cyclobutylcarbothioylamino)-3-phenyl-propanoate Openeye Name: 3-methylsulfanylpropyl 2-(cyclobutanecarbothioylamino)-3-phenyl-propanoate CAS Name: 2-[[cyclobutyl(sulfanylidene)methyl]amino]-3-phenylpropanoic acid 3-(methylthio)propyl ester IUPAC Name: 3-methylsulfanylpropyl 2-(cyclobutanecarbothioylamino)-3-phenylpropanoate Traditional Name: 2-(cyclobutanecarbothioylamino)-3-phenyl-propionic acid 3-(methylthio)propyl ester Formula: C18H25NO2S2 MolecularWeight: 351.5266

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCOC(=O)C(CC1=CC=CC=C1)NC(=S)C2CCC2

Isomeric SMILES

CSCCCOC(=O)C(CC1=CC=CC=C1)NC(=S)C2CCC2

InChI

InChI=1S/C18H25NO2S2/c1-23-12-6-11-21-18(20)16(13-14-7-3-2-4-8-14)19-17(22)15-9-5-10-15/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,19,22)