3-phenylpropyl 5-[(2,4-dichlorophenyl)methylcarbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2,4-dichlorophenyl)methylcarbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(2,4-dichlorophenyl)methylcarbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[(2,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(2,4-dichlorophenyl)methylcarbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(2,4-dichlorobenzyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H24Cl2N2O3S MolecularWeight: 467.40856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24Cl2N2O3S/c23-18-12-11-17(19(24)14-18)15-25-22(30)26-20(27)9-4-10-21(28)29-13-5-8-16-6-2-1-3-7-16/h1-3,6-7,11-12,14H,4-5,8-10,13,15H2,(H2,25,26,27,30)