2-methoxyethyl 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C21H32N4O5S/c1-4-25(5-2)13-12-22-20(28)16-6-8-17(9-7-16)23-21(31)24-18(26)10-11-19(27)30-15-14-29-3/h6-9H,4-5,10-15H2,1-3H3,(H,22,28)(H2,23,24,26,31)