propyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(diethylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)N(CC)CC

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)N(CC)CC

InChI

InChI=1S/C18H27N3O3S/c1-4-13-24-17(23)12-11-16(22)20-18(25)19-14-7-9-15(10-8-14)21(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3,(H2,19,20,22,25)