3-[3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[4-(1,3-benzothiazol-2-yl)piperidino]acetyl]indol-1-yl]propionitrile Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)CC(=O)C4=CN(C5=CC=CC=C54)CCC#N

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)CC(=O)C4=CN(C5=CC=CC=C54)CCC#N

InChI

InChI=1S/C25H24N4OS/c26-12-5-13-29-16-20(19-6-1-3-8-22(19)29)23(30)17-28-14-10-18(11-15-28)25-27-21-7-2-4-9-24(21)31-25/h1-4,6-9,16,18H,5,10-11,13-15,17H2