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

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylphenyl]-2-cyano-ethanamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-2-cyano-acetamide CAS Name: N-[4-[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]-2-cyanoacetamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide Traditional Name: N-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-2-cyano-acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c22-12-11-19(26)23-15-9-7-14(8-10-15)21(27)25-13-3-5-17(25)20-24-16-4-1-2-6-18(16)28-20/h1-2,4,6-10,17H,3,5,11,13H2,(H,23,26)