3-phenylpropyl 5-[(2-chlorophenyl)methylcarbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2-chlorophenyl)methylcarbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(2-chlorophenyl)methylcarbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[(2-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(2-chlorophenyl)methylcarbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(2-chlorobenzyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NCC2=CC=CC=C2Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NCC2=CC=CC=C2Cl

InChI

InChI=1S/C22H25ClN2O3S/c23-19-12-5-4-11-18(19)16-24-22(29)25-20(26)13-6-14-21(27)28-15-7-10-17-8-2-1-3-9-17/h1-5,8-9,11-12H,6-7,10,13-16H2,(H2,24,25,26,29)