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

Systemtic Name: methyl 4-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-20(2)15(22)10-6-12-4-7-13(8-5-12)18-17(25)19-14(21)9-11-16(23)24-3/h4-5,7-8H,6,9-11H2,1-3H3,(H2,18,19,21,25)