3-phenylpropyl 5-(methylcarbamothioylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-(methylcarbamothioylamino)-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(methylcarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-[[methylamino(sulfanylidene)methyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(methylcarbamothioylamino)-5-oxopentanoate Traditional Name: 5-keto-5-(methylthiocarbamoylamino)valeric acid 3-phenylpropyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC(=O)CCCC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CNC(=S)NC(=O)CCCC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O3S/c1-17-16(22)18-14(19)10-5-11-15(20)21-12-6-9-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H2,17,18,19,22)