methyl 4-[[4-(dimethylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(dimethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(dimethylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-[dimethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(dimethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(dimethylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H21N3O3S/c1-18(2)14(20)11-6-8-12(9-7-11)17-15(22)16-10-4-5-13(19)21-3/h6-9H,4-5,10H2,1-3H3,(H2,16,17,22)