2-[2-[(4-carbamimidoylphenyl)carbamoyl]-1-benzothiophen-3-yl]benzoate

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-1-benzothiophen-3-yl]benzoate Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]benzothiophen-3-yl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-1-benzothiophen-3-yl]benzoate IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-1-benzothiophen-3-yl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]benzothiophen-3-yl]benzoate Formula: C23H16N3O3S- MolecularWeight: 414.45644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(SC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(SC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)[O-]

InChI

InChI=1S/C23H17N3O3S/c24-21(25)13-9-11-14(12-10-13)26-22(27)20-19(17-7-3-4-8-18(17)30-20)15-5-1-2-6-16(15)23(28)29/h1-12H,(H3,24,25)(H,26,27)(H,28,29)/p-1