methyl 3-[4-[5-(4-carbamimidoylphenyl)-2-sulfanylidene-1H-imidazol-3-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-2-sulfanylidene-1H-imidazol-3-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-2-thioxo-1H-imidazol-3-yl]phenyl]propanoate CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-2-sulfanylidene-1H-imidazol-3-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-2-sulfanylidene-1H-imidazol-3-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(4-amidinophenyl)-2-thioxo-4-imidazolin-1-yl]phenyl]propionic acid methyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H20N4O2S/c1-26-18(25)11-4-13-2-9-16(10-3-13)24-12-17(23-20(24)27)14-5-7-15(8-6-14)19(21)22/h2-3,5-10,12H,4,11H2,1H3,(H3,21,22)(H,23,27)