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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]urea Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]urea CAS Name: 1-(1,3-benzothiazol-2-yl)-3-[[4-[(4-methyl-1-piperazinyl)methyl]phenyl]methyl]urea IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]urea Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-[4-[(4-methylpiperazino)methyl]benzyl]urea Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)NC3=NC4=CC=CC=C4S3

InChI

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