ethyl 4-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-4-24-16(23)10-9-14(21)19-17(25)18-13-7-5-12(6-8-13)11-15(22)20(2)3/h5-8H,4,9-11H2,1-3H3,(H2,18,19,21,25)