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

Systemtic Name: 1-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-pentyl-urea Openeye Name: 1-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-pentyl-urea CAS Name: 1-[2-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-3-pentylurea IUPAC Name: 1-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-pentylurea Traditional Name: 1-amyl-3-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]urea Formula: C25H33N5OS MolecularWeight: 451.62742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=CC=CC=C1CCN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CCCCCNC(=O)NC1=CC=CC=C1CCN2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C25H33N5OS/c1-2-3-8-14-26-25(31)27-22-11-6-4-9-20(22)13-15-29-16-18-30(19-17-29)24-21-10-5-7-12-23(21)32-28-24/h4-7,9-12H,2-3,8,13-19H2,1H3,(H2,26,27,31)