N-[[4-(aminomethyl)phenyl]methyl]-2-(5-chloranyl-1-benzothiophen-3-yl)-6-iodanyl-quinoline-4-carboxamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-chloranyl-1-benzothiophen-3-yl)-6-iodanyl-quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-chlorobenzothiophen-3-yl)-6-iodo-quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-chloro-1-benzothiophen-3-yl)-6-iodo-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-chloro-1-benzothiophen-3-yl)-6-iodoquinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-chlorobenzothiophen-3-yl)-6-iodo-cinchoninamide Formula: C26H19ClIN3OS MolecularWeight: 583.87103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)I)C4=CSC5=C4C=C(C=C5)Cl

Isomeric SMILES

C1=CC(=CC=C1CN)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)I)C4=CSC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C26H19ClIN3OS/c27-17-5-8-25-20(9-17)22(14-33-25)24-11-21(19-10-18(28)6-7-23(19)31-24)26(32)30-13-16-3-1-15(12-29)2-4-16/h1-11,14H,12-13,29H2,(H,30,32)