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

Systemtic Name: methyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(diethylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-4-20(5-2)16(22)13-8-10-14(11-9-13)19-17(24)18-12-6-7-15(21)23-3/h8-11H,4-7,12H2,1-3H3,(H2,18,19,24)