3-(1,3-benzothiazol-2-yl)-1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]urea

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]urea Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]urea CAS Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]urea IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]urea Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]urea Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC(=NN1)C2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CCCC1=CC(=NN1)C2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N5OS/c1-26(21(27)23-20-22-17-11-5-6-12-19(17)28-20)13-7-10-16-14-18(25-24-16)15-8-3-2-4-9-15/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H,24,25)(H,22,23,27)