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

Systemtic Name: phenethyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(diethylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O3S/c1-3-26(4-2)20-12-10-19(11-13-20)24-23(30)25-21(27)14-15-22(28)29-17-16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H2,24,25,27,30)