3-[4-(aminomethyl)phenyl]-N-[2-(methylamino)ethyl]-N-propyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-[4-(aminomethyl)phenyl]-N-[2-(methylamino)ethyl]-N-propyl-1-benzothiophene-2-carboxamide Openeye Name: 3-[4-(aminomethyl)phenyl]-N-[2-(methylamino)ethyl]-N-propyl-benzothiophene-2-carboxamide CAS Name: 3-[4-(aminomethyl)phenyl]-N-[2-(methylamino)ethyl]-N-propyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-[4-(aminomethyl)phenyl]-N-[2-(methylamino)ethyl]-N-propyl-1-benzothiophene-2-carboxamide Traditional Name: 3-[4-(aminomethyl)phenyl]-N-[2-(methylamino)ethyl]-N-propyl-benzothiophene-2-carboxamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCNC)C(=O)C1=C(C2=CC=CC=C2S1)C3=CC=C(C=C3)CN

Isomeric SMILES

CCCN(CCNC)C(=O)C1=C(C2=CC=CC=C2S1)C3=CC=C(C=C3)CN

InChI

InChI=1S/C22H27N3OS/c1-3-13-25(14-12-24-2)22(26)21-20(17-10-8-16(15-23)9-11-17)18-6-4-5-7-19(18)27-21/h4-11,24H,3,12-15,23H2,1-2H3