2-azanyl-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-3-carboxamide

Systemtic Name: 2-azanyl-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-3-carboxamide Openeye Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-3-carboxamide CAS Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3-pyridinecarboxamide IUPAC Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-3-carboxamide Traditional Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]nicotinamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=C(N=CC=C2)N)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=C(N=CC=C2)N)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H26N6OS/c22-19-17(7-5-10-23-19)21(28)24-9-3-4-11-26-12-14-27(15-13-26)20-16-6-1-2-8-18(16)29-25-20/h1-2,5-8,10H,3-4,9,11-15H2,(H2,22,23)(H,24,28)