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

Systemtic Name: 2-methoxyethyl 4-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CN(C)C(=O)CCC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C19H27N3O5S/c1-22(2)17(24)9-7-14-5-4-6-15(13-14)20-19(28)21-16(23)8-10-18(25)27-12-11-26-3/h4-6,13H,7-12H2,1-3H3,(H2,20,21,23,28)