3-phenylpropyl 5-oxidanylidene-5-[(phenylmethyl)carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(phenylmethyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-(benzylcarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-oxo-5-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(benzylcarbamothioylamino)-5-oxopentanoate Traditional Name: 5-(benzylthiocarbamoylamino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O3S/c25-20(24-22(28)23-17-19-11-5-2-6-12-19)14-7-15-21(26)27-16-8-13-18-9-3-1-4-10-18/h1-6,9-12H,7-8,13-17H2,(H2,23,24,25,28)