1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-ethyl-urea

Systemtic Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-ethyl-urea Openeye Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-ethyl-urea CAS Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-3-ethylurea IUPAC Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-ethylurea Traditional Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-3-ethyl-urea Formula: C22H27N5OS MolecularWeight: 409.54768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC=C(C=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CCNC(=O)NC1=CC=C(C=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H27N5OS/c1-2-23-22(28)24-18-9-7-17(8-10-18)11-12-26-13-15-27(16-14-26)21-19-5-3-4-6-20(19)29-25-21/h3-10H,2,11-16H2,1H3,(H2,23,24,28)