3-phenylpropyl 5-[[4-(diethylamino)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(diethylamino)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(diethylamino)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(diethylamino)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(diethylamino)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H33N3O3S/c1-3-28(4-2)22-17-15-21(16-18-22)26-25(32)27-23(29)13-8-14-24(30)31-19-9-12-20-10-6-5-7-11-20/h5-7,10-11,15-18H,3-4,8-9,12-14,19H2,1-2H3,(H2,26,27,29,32)