3-phenylpropyl 4-oxidanylidene-4-(pyrrolidin-1-ylcarbothioylamino)butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-(pyrrolidin-1-ylcarbothioylamino)butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-(pyrrolidine-1-carbothioylamino)butanoate CAS Name: 4-oxo-4-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(pyrrolidine-1-carbothioylamino)butanoate Traditional Name: 4-keto-4-(pyrrolidine-1-carbothioylamino)butyric acid 3-phenylpropyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C1CCN(C1)C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O3S/c21-16(19-18(24)20-12-4-5-13-20)10-11-17(22)23-14-6-9-15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14H2,(H,19,21,24)