methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-2-sulfanylidene-imidazol-4-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-2-sulfanylidene-imidazol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-2-thioxo-imidazol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-2-sulfanylidene-4-imidazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-2-sulfanylideneimidazol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-3-methyl-2-thioxo-4-imidazolin-4-yl]phenyl]propionic acid methyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN(C1=S)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC

Isomeric SMILES

CN1C(=CN(C1=S)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC

InChI

InChI=1S/C21H22N4O2S/c1-24-18(15-6-3-14(4-7-15)5-12-19(26)27-2)13-25(21(24)28)17-10-8-16(9-11-17)20(22)23/h3-4,6-11,13H,5,12H2,1-2H3,(H3,22,23)