methyl 4-[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonylamino]butanoate Openeye Name: methyl 4-[(3-phenyl-2-thioxo-1H-imidazole-4-carbonyl)amino]butanoate CAS Name: 4-[[oxo-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)amino]butanoate Traditional Name: 4-[(3-phenyl-2-thioxo-4-imidazoline-4-carbonyl)amino]butyric acid methyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C15H17N3O3S/c1-21-13(19)8-5-9-16-14(20)12-10-17-15(22)18(12)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,20)(H,17,22)