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

Systemtic Name: (phenylmethyl) 2-[(4-carbamimidoylphenyl)carbamoyl]-5-(2,2-dimethylpropylcarbamoyl)-3-thiophen-2-yl-benzoate Openeye Name: benzyl 2-[(4-carbamimidoylphenyl)carbamoyl]-5-(2,2-dimethylpropylcarbamoyl)-3-(2-thienyl)benzoate CAS Name: 2-[(4-carbamimidoylanilino)-oxomethyl]-5-[(2,2-dimethylpropylamino)-oxomethyl]-3-thiophen-2-ylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-carbamimidoylphenyl)carbamoyl]-5-(2,2-dimethylpropylcarbamoyl)-3-thiophen-2-ylbenzoate Traditional Name: 2-[(4-amidinophenyl)carbamoyl]-5-(neopentylcarbamoyl)-3-(2-thienyl)benzoic acid benzyl ester Formula: C32H32N4O4S MolecularWeight: 568.68588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)C1=CC(=C(C(=C1)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)CNC(=O)C1=CC(=C(C(=C1)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H32N4O4S/c1-32(2,3)19-35-29(37)22-16-24(26-10-7-15-41-26)27(30(38)36-23-13-11-21(12-14-23)28(33)34)25(17-22)31(39)40-18-20-8-5-4-6-9-20/h4-17H,18-19H2,1-3H3,(H3,33,34)(H,35,37)(H,36,38)