N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[(E)-4-[4-(2-methoxyphenyl)-1-piperazinyl]but-2-enyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[(E)-4-[4-(2-methoxyphenyl)piperazino]but-2-enyl]-1,2-benzothiazole-3-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC=CCNC(=O)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C/C=C/CNC(=O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O2S/c1-29-20-10-4-3-9-19(20)27-16-14-26(15-17-27)13-7-6-12-24-23(28)22-18-8-2-5-11-21(18)30-25-22/h2-11H,12-17H2,1H3,(H,24,28)/b7-6+