N-(cyanomethyl)-4-methyl-2-[3-(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(2-oxo-3H-1,3-benzothiazol-6-yl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-(2-oxo-3H-1,3-benzothiazol-6-yl)phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(2-oxo-3H-1,3-benzothiazol-6-yl)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-2-[3-(2-keto-3H-1,3-benzothiazol-6-yl)phenyl]-4-methyl-valeramide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)NC(=O)S3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)NC(=O)S3)C(=O)NCC#N

InChI

InChI=1S/C21H21N3O2S/c1-13(2)10-17(20(25)23-9-8-22)16-5-3-4-14(11-16)15-6-7-18-19(12-15)27-21(26)24-18/h3-7,11-13,17H,9-10H2,1-2H3,(H,23,25)(H,24,26)