1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-[2-[4-(1-pyrazolyl)phenyl]ethyl]urea IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

InChI

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