N-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylphenyl]-2-cyano-ethanamide

Systemtic Name: N-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylphenyl]-2-cyano-ethanamide Openeye Name: N-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-2-cyano-acetamide CAS Name: N-[4-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]phenyl]-2-cyanoacetamide IUPAC Name: N-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-2-cyanoacetamide Traditional Name: N-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-2-cyano-acetamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)NC(=O)CC#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N4O2S/c23-12-11-20(27)24-17-9-7-15(8-10-17)22(28)26-13-3-4-16(14-26)21-25-18-5-1-2-6-19(18)29-21/h1-2,5-10,16H,3-4,11,13-14H2,(H,24,27)/t16-/m0/s1