methyl 4-oxidanylidene-4-[[4-(propylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[4-(propylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[4-(propylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-[oxo(propylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[4-(propylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(propylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C16H21N3O4S/c1-3-10-17-15(22)11-4-6-12(7-5-11)18-16(24)19-13(20)8-9-14(21)23-2/h4-7H,3,8-10H2,1-2H3,(H,17,22)(H2,18,19,20,24)