N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-bromanyl-2,6-dimethoxy-benzamide

Systemtic Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-bromanyl-2,6-dimethoxy-benzamide Openeye Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-bromo-2,6-dimethoxy-benzamide CAS Name: N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3-bromo-2,6-dimethoxybenzamide IUPAC Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-bromo-2,6-dimethoxybenzamide Traditional Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-3-bromo-2,6-dimethoxy-benzamide Formula: C24H29BrN4O3S MolecularWeight: 533.48106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Br)OC)C(=O)NCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=C(C(=C(C=C1)Br)OC)C(=O)NCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C24H29BrN4O3S/c1-31-19-10-9-18(25)22(32-2)21(19)24(30)26-11-5-6-12-28-13-15-29(16-14-28)23-17-7-3-4-8-20(17)33-27-23/h3-4,7-10H,5-6,11-16H2,1-2H3,(H,26,30)