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

Systemtic Name: 2-methoxyethyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[4-(sec-butylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(sec-butylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5S/c1-4-13(2)20-18(25)14-5-7-15(8-6-14)21-19(28)22-16(23)9-10-17(24)27-12-11-26-3/h5-8,13H,4,9-12H2,1-3H3,(H,20,25)(H2,21,22,23,28)