4-[[N-[4-(2-carbazol-9-ylethoxy)phenyl]-N'-ethyl-carbamimidoyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[N-[4-(2-carbazol-9-ylethoxy)phenyl]-N'-ethyl-carbamimidoyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[N-[4-(2-carbazol-9-ylethoxy)phenyl]-N'-ethyl-carbamimidoyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[[4-[2-(9-carbazolyl)ethoxy]anilino]-ethyliminomethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[N-[4-(2-carbazol-9-ylethoxy)phenyl]-N'-ethylcarbamimidoyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[N-[4-(2-carbazol-9-ylethoxy)phenyl]-N'-ethyl-amidino]thio]methyl]benzoic acid Formula: C31H29N3O3S MolecularWeight: 523.64526

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NC1=CC=C(C=C1)OCCN2C3=CC=CC=C3C4=CC=CC=C42)SCC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CCN=C(NC1=CC=C(C=C1)OCCN2C3=CC=CC=C3C4=CC=CC=C42)SCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C31H29N3O3S/c1-2-32-31(38-21-22-11-13-23(14-12-22)30(35)36)33-24-15-17-25(18-16-24)37-20-19-34-28-9-5-3-7-26(28)27-8-4-6-10-29(27)34/h3-18H,2,19-21H2,1H3,(H,32,33)(H,35,36)