ethyl 2-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: ethyl 2-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: ethyl 2-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]phenyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[2-[[(4-carbamimidoylphenyl)thio]methyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[2-[[(4-amidinophenyl)thio]methyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid ethyl ester Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)C)C2=CC=CC=C2CSC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)C)C2=CC=CC=C2CSC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C28H31N3O3S/c1-4-34-28(33)25-15-20(27(32)31-16-18(2)3)11-14-24(25)23-8-6-5-7-21(23)17-35-22-12-9-19(10-13-22)26(29)30/h5-15,18H,4,16-17H2,1-3H3,(H3,29,30)(H,31,32)