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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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