N-[2-[3-[4-(aminomethyl)phenyl]propyl-methyl-amino]ethyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[3-[4-(aminomethyl)phenyl]propyl-methyl-amino]ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-[3-[4-(aminomethyl)phenyl]propyl-methyl-amino]ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-[3-[4-(aminomethyl)phenyl]propyl-methyl-amino]ethyl]-1,3-benzothiazole-6-carboxamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=C(C=C1)CN)CCNC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CN(CCCC1=CC=C(C=C1)CN)CCNC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C21H26N4OS/c1-25(11-2-3-16-4-6-17(14-22)7-5-16)12-10-23-21(26)18-8-9-19-20(13-18)27-15-24-19/h4-9,13,15H,2-3,10-12,14,22H2,1H3,(H,23,26)