6-[[(3-phenoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[(3-phenoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[(3-phenoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[(3-phenoxyphenyl)methylamino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[(3-phenoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[(3-phenoxybenzyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C29H25N3O2S MolecularWeight: 479.5927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CNCC3=CC4=C(C=C3)C(=C(N4)C(=O)N)SC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CNCC3=CC4=C(C=C3)C(=C(N4)C(=O)N)SC5=CC=CC=C5

InChI

InChI=1S/C29H25N3O2S/c30-29(33)27-28(35-24-12-5-2-6-13-24)25-15-14-21(17-26(25)32-27)19-31-18-20-8-7-11-23(16-20)34-22-9-3-1-4-10-22/h1-17,31-32H,18-19H2,(H2,30,33)