3-phenylsulfanyl-5-[(quinolin-6-ylamino)methyl]-1H-indole-2-carboxamide

Systemtic Name: 3-phenylsulfanyl-5-[(quinolin-6-ylamino)methyl]-1H-indole-2-carboxamide Openeye Name: 3-phenylsulfanyl-5-[(6-quinolylamino)methyl]-1H-indole-2-carboxamide CAS Name: 3-(phenylthio)-5-[(6-quinolinylamino)methyl]-1H-indole-2-carboxamide IUPAC Name: 3-phenylsulfanyl-5-[(quinolin-6-ylamino)methyl]-1H-indole-2-carboxamide Traditional Name: 3-(phenylthio)-5-[(6-quinolylamino)methyl]-1H-indole-2-carboxamide Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)CNC4=CC5=C(C=C4)N=CC=C5)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)CNC4=CC5=C(C=C4)N=CC=C5)C(=O)N

InChI

InChI=1S/C25H20N4OS/c26-25(30)23-24(31-19-6-2-1-3-7-19)20-13-16(8-10-22(20)29-23)15-28-18-9-11-21-17(14-18)5-4-12-27-21/h1-14,28-29H,15H2,(H2,26,30)