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

Systemtic Name: 3-phenylpropyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(diethylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c1-3-27(4-2)21-14-12-20(13-15-21)25-24(31)26-22(28)16-17-23(29)30-18-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15H,3-4,8,11,16-18H2,1-2H3,(H2,25,26,28,31)