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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CNCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CNCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

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