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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-(piperidin-1-ylcarbothioylamino)butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-(piperidine-1-carbothioylamino)butanoate CAS Name: 4-oxo-4-[[1-piperidinyl(sulfanylidene)methyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(piperidine-1-carbothioylamino)butanoate Traditional Name: 4-keto-4-(piperidine-1-carbothioylamino)butyric acid 3-phenylpropyl ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C1CCN(CC1)C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C19H26N2O3S/c22-17(20-19(25)21-13-5-2-6-14-21)11-12-18(23)24-15-7-10-16-8-3-1-4-9-16/h1,3-4,8-9H,2,5-7,10-15H2,(H,20,22,25)