N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(1,3-thiazol-2-ylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(1,3-thiazol-2-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(thiazol-2-ylmethyl)benzothiophene-2-carboxamide CAS Name: N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-N-(2-thiazolylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(1,3-thiazol-2-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(thiazol-2-ylmethyl)benzothiophene-2-carboxamide Formula: C21H28N4OS2+2 MolecularWeight: 416.60322

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN(CC2=NC=CS2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN(CC2=NC=CS2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H26N4OS2/c1-23-10-12-24(13-11-23)8-4-9-25(16-20-22-7-14-27-20)21(26)19-15-17-5-2-3-6-18(17)28-19/h2-3,5-7,14-15H,4,8-13,16H2,1H3/p+2