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

Systemtic Name: methyl 4-[[N-[4-(2-carbazol-9-ylethoxy)phenyl]-N'-ethyl-carbamimidoyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[N-[4-(2-carbazol-9-ylethoxy)phenyl]-N'-ethyl-carbamimidoyl]sulfanylmethyl]benzoate CAS Name: 4-[[[[4-[2-(9-carbazolyl)ethoxy]anilino]-ethyliminomethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[N-[4-(2-carbazol-9-ylethoxy)phenyl]-N'-ethylcarbamimidoyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[N-[4-(2-carbazol-9-ylethoxy)phenyl]-N'-ethyl-amidino]thio]methyl]benzoic acid methyl ester Formula: C32H31N3O3S MolecularWeight: 537.67184

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C32H31N3O3S/c1-3-33-32(39-22-23-12-14-24(15-13-23)31(36)37-2)34-25-16-18-26(19-17-25)38-21-20-35-29-10-6-4-8-27(29)28-9-5-7-11-30(28)35/h4-19H,3,20-22H2,1-2H3,(H,33,34)