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

Systemtic Name: methyl 2-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: methyl 2-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]phenyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[2-[[(4-carbamimidoylphenyl)thio]methyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[2-[[(4-amidinophenyl)thio]methyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid methyl ester Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CSC3=CC=C(C=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CSC3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C27H29N3O3S/c1-17(2)15-30-26(31)19-10-13-23(24(14-19)27(32)33-3)22-7-5-4-6-20(22)16-34-21-11-8-18(9-12-21)25(28)29/h4-14,17H,15-16H2,1-3H3,(H3,28,29)(H,30,31)