2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CN(C)CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CN(C)CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-15-12-19(26(24-15)16-8-4-3-5-9-16)23-20(27)13-25(2)14-21-22-17-10-6-7-11-18(17)28-21/h3-12H,13-14H2,1-2H3,(H,23,27)