(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]thiophen-3-yl]-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]thiophen-3-yl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-thienyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-thiophenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]thiophen-3-yl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-thienyl]-5-(isobutylcarbamoyl)benzoic acid benzyl ester Formula: C31H30N4O4S MolecularWeight: 554.6593

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(SC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(SC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H30N4O4S/c1-19(2)17-34-29(36)22-10-13-24(26(16-22)31(38)39-18-20-6-4-3-5-7-20)25-14-15-40-27(25)30(37)35-23-11-8-21(9-12-23)28(32)33/h3-16,19H,17-18H2,1-2H3,(H3,32,33)(H,34,36)(H,35,37)