1-[2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-1-oxoethyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[2-(5-chloro-2-keto-1,3-benzothiazol-3-yl)acetyl]-4-phenyl-isonipecotonitrile Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)CN3C4=C(C=CC(=C4)Cl)SC3=O

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)CN3C4=C(C=CC(=C4)Cl)SC3=O

InChI

InChI=1S/C21H18ClN3O2S/c22-16-6-7-18-17(12-16)25(20(27)28-18)13-19(26)24-10-8-21(14-23,9-11-24)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2