2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C(C)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N6OS/c1-14-20(15(2)25(4)24-14)23-21(28)16(3)27-11-9-26(10-12-27)13-19-22-17-7-5-6-8-18(17)29-19/h5-8,16H,9-13H2,1-4H3,(H,23,28)