4-[[3-chloranyl-2-(naphthalen-2-ylsulfanylmethyl)-5-(quinoxalin-2-ylcarbonylamino)indol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-chloranyl-2-(naphthalen-2-ylsulfanylmethyl)-5-(quinoxalin-2-ylcarbonylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-chloro-2-(2-naphthylsulfanylmethyl)-5-(quinoxaline-2-carbonylamino)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-chloro-2-[(2-naphthalenylthio)methyl]-5-[[oxo(2-quinoxalinyl)methyl]amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-chloro-2-(naphthalen-2-ylsulfanylmethyl)-5-(quinoxaline-2-carbonylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-chloro-2-[(2-naphthylthio)methyl]-5-(quinoxaline-2-carbonylamino)indol-1-yl]methyl]benzoic acid Formula: C36H25ClN4O3S MolecularWeight: 629.1267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCC3=C(C4=C(N3CC5=CC=C(C=C5)C(=O)O)C=CC(=C4)NC(=O)C6=NC7=CC=CC=C7N=C6)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCC3=C(C4=C(N3CC5=CC=C(C=C5)C(=O)O)C=CC(=C4)NC(=O)C6=NC7=CC=CC=C7N=C6)Cl

InChI

InChI=1S/C36H25ClN4O3S/c37-34-28-18-26(39-35(42)31-19-38-29-7-3-4-8-30(29)40-31)14-16-32(28)41(20-22-9-11-24(12-10-22)36(43)44)33(34)21-45-27-15-13-23-5-1-2-6-25(23)17-27/h1-19H,20-21H2,(H,39,42)(H,43,44)