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

Systemtic Name: methyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-(diethylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(diethylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C16H23N3O3S/c1-4-19(5-2)13-8-6-12(7-9-13)17-16(23)18-14(20)10-11-15(21)22-3/h6-9H,4-5,10-11H2,1-3H3,(H2,17,18,20,23)