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

Systemtic Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-pentyl-urea Openeye Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-pentyl-urea CAS Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-3-pentylurea IUPAC Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-pentylurea Traditional Name: 1-amyl-3-[3-[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(=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

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

InChI

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