2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(1-benzylpyrrolidin-3-yl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-N-[1-(phenylmethyl)-3-pyrrolidinyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(1-benzylpyrrolidin-3-yl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-N-(1-benzylpyrrolidin-3-yl)acetamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC1NC(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

InChI

InChI=1S/C25H31N5OS/c31-24(26-21-10-11-30(17-21)16-20-6-2-1-3-7-20)18-28-12-14-29(15-13-28)19-25-27-22-8-4-5-9-23(22)32-25/h1-9,21H,10-19H2,(H,26,31)