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

Systemtic Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-2-sulfanylidene-1H-imidazol-3-yl]propanoate hydrochloride Openeye Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-2-thioxo-1H-imidazol-3-yl]propanoate hydrochloride CAS Name: 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-2-sulfanylidene-1H-imidazol-3-yl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-2-sulfanylidene-1H-imidazol-3-yl]propanoate hydrochloride Traditional Name: 3-[4-[4-(4-amidinophenyl)phenyl]-2-thioxo-4-imidazolin-1-yl]propionic acid methyl ester hydrochloride Formula: C20H21ClN4O2S MolecularWeight: 416.92434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=C(NC1=S)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCN1C=C(NC1=S)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

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