N-[4-(aminomethyl)phenyl]-3-chloranyl-N-[1-(methylamino)pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(aminomethyl)phenyl]-3-chloranyl-N-[1-(methylamino)pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(aminomethyl)phenyl]-3-chloro-N-[1-(methylaminomethyl)butyl]benzothiophene-2-carboxamide CAS Name: N-[4-(aminomethyl)phenyl]-3-chloro-N-[1-(methylamino)pentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(aminomethyl)phenyl]-3-chloro-N-[1-(methylamino)pentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(aminomethyl)phenyl]-3-chloro-N-[1-(methylaminomethyl)butyl]benzothiophene-2-carboxamide Formula: C22H26ClN3OS MolecularWeight: 415.97934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC)N(C1=CC=C(C=C1)CN)C(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCC(CNC)N(C1=CC=C(C=C1)CN)C(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H26ClN3OS/c1-3-6-17(14-25-2)26(16-11-9-15(13-24)10-12-16)22(27)21-20(23)18-7-4-5-8-19(18)28-21/h4-5,7-12,17,25H,3,6,13-14,24H2,1-2H3