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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylidene-1H-imidazol-5-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-thioxo-1H-imidazol-5-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylidene-1H-imidazol-5-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylidene-1H-imidazol-5-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-thioxo-4-imidazolin-4-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)C2=CN(C(=S)N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=C(C=C3)C(=N)N

InChI

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