N-[2-(azepan-1-yl)ethyl]-3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-3-[6-(1,3-benzothiazol-6-ylamino)-3-pyridazinyl]benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]benzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]benzamide Formula: C26H28N6OS MolecularWeight: 472.60512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2=CC=CC(=C2)C3=NN=C(C=C3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2=CC=CC(=C2)C3=NN=C(C=C3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C26H28N6OS/c33-26(27-12-15-32-13-3-1-2-4-14-32)20-7-5-6-19(16-20)22-10-11-25(31-30-22)29-21-8-9-23-24(17-21)34-18-28-23/h5-11,16-18H,1-4,12-15H2,(H,27,33)(H,29,31)