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

Systemtic Name: methyl 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C19H28N4O4S MolecularWeight: 408.51502

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O4S/c1-4-23(5-2)13-12-20-18(26)14-6-8-15(9-7-14)21-19(28)22-16(24)10-11-17(25)27-3/h6-9H,4-5,10-13H2,1-3H3,(H,20,26)(H2,21,22,24,28)