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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]urea Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]urea CAS Name: 1-(1,3-benzothiazol-2-yl)-3-[2-(4-methyl-2-phenyl-1-piperazinyl)ethyl]urea IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-[2-(4-methyl-2-phenyl-piperazino)ethyl]urea Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)CCNC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)CCNC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N5OS/c1-25-13-14-26(18(15-25)16-7-3-2-4-8-16)12-11-22-20(27)24-21-23-17-9-5-6-10-19(17)28-21/h2-10,18H,11-15H2,1H3,(H2,22,23,24,27)