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

Systemtic Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-phenyl]-3-cyclopentyl-urea Openeye Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-phenyl]-3-cyclopentyl-urea CAS Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]-2-methylphenyl]-3-cyclopentylurea IUPAC Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methylphenyl]-3-cyclopentylurea Traditional Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]-2-methyl-phenyl]-3-cyclopentyl-urea Formula: C26H33N5OS MolecularWeight: 463.63812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)NC(=O)NC5CCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)NC(=O)NC5CCCC5

InChI

InChI=1S/C26H33N5OS/c1-19-18-20(10-11-23(19)28-26(32)27-21-6-2-3-7-21)12-13-30-14-16-31(17-15-30)25-22-8-4-5-9-24(22)33-29-25/h4-5,8-11,18,21H,2-3,6-7,12-17H2,1H3,(H2,27,28,32)