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

Systemtic Name: 2-methoxyethyl 4-[[4-(dipropylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-(dipropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(dipropylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(dipropylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C21H31N3O5S/c1-4-12-24(13-5-2)20(27)16-6-8-17(9-7-16)22-21(30)23-18(25)10-11-19(26)29-15-14-28-3/h6-9H,4-5,10-15H2,1-3H3,(H2,22,23,25,30)