methyl 7-[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonylamino]heptanoate

Systemtic Name: methyl 7-[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonylamino]heptanoate Openeye Name: methyl 7-[(3-phenyl-2-thioxo-1H-imidazole-4-carbonyl)amino]heptanoate CAS Name: 7-[[oxo-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)amino]heptanoate Traditional Name: 7-[(3-phenyl-2-thioxo-4-imidazoline-4-carbonyl)amino]enanthic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-24-16(22)11-7-2-3-8-12-19-17(23)15-13-20-18(25)21(15)14-9-5-4-6-10-14/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,19,23)(H,20,25)