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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-(phenylcarbamothioylamino)pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-(phenylcarbamothioylamino)pentanoate CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-(phenylcarbamothioylamino)pentanoate Traditional Name: 5-keto-5-(phenylthiocarbamoylamino)valeric acid 3-phenylpropyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O3S/c24-19(23-21(27)22-18-12-5-2-6-13-18)14-7-15-20(25)26-16-8-11-17-9-3-1-4-10-17/h1-6,9-10,12-13H,7-8,11,14-16H2,(H2,22,23,24,27)