3-carbamimidoylsulfanyl-4-(4-phenylphenyl)butanoic acid

Systemtic Name: 3-carbamimidoylsulfanyl-4-(4-phenylphenyl)butanoic acid Openeye Name: 3-carbamimidoylsulfanyl-4-(4-phenylphenyl)butanoic acid CAS Name: 3-(carbamimidoylthio)-4-(4-phenylphenyl)butanoic acid IUPAC Name: 3-carbamimidoylsulfanyl-4-(4-phenylphenyl)butanoic acid Traditional Name: 3-(amidinothio)-4-(4-phenylphenyl)butyric acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(CC(=O)O)SC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(CC(=O)O)SC(=N)N

InChI

InChI=1S/C17H18N2O2S/c18-17(19)22-15(11-16(20)21)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H3,18,19)(H,20,21)