ethyl 4-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-4-25-17(24)11-9-15(22)20-18(26)19-14-7-5-6-13(12-14)8-10-16(23)21(2)3/h5-7,12H,4,8-11H2,1-3H3,(H2,19,20,22,26)