4-[(E)-3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-3-keto-prop-1-enyl]benzonitrile Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3OS/c23-14-17-9-7-16(8-10-17)11-12-21(26)25-13-3-4-18(15-25)22-24-19-5-1-2-6-20(19)27-22/h1-2,5-12,18H,3-4,13,15H2/b12-11+/t18-/m0/s1