6-[[(4-bromophenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[(4-bromophenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[(4-bromophenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[(4-bromophenyl)methylamino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[(4-bromophenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[(4-bromobenzyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C23H20BrN3OS MolecularWeight: 466.3934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNCC4=CC=C(C=C4)Br)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNCC4=CC=C(C=C4)Br)C(=O)N

InChI

InChI=1S/C23H20BrN3OS/c24-17-9-6-15(7-10-17)13-26-14-16-8-11-19-20(12-16)27-21(23(25)28)22(19)29-18-4-2-1-3-5-18/h1-12,26-27H,13-14H2,(H2,25,28)