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

Systemtic Name: 3-[3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]acetyl]indol-1-yl]propionitrile Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)CC(=O)C4=CN(C5=CC=CC=C54)CCC#N

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)CC(=O)C4=CN(C5=CC=CC=C54)CCC#N

InChI

InChI=1S/C25H25N5OS/c26-10-5-11-30-16-20(19-6-1-3-8-22(19)30)23(31)17-28-12-14-29(15-13-28)18-25-27-21-7-2-4-9-24(21)32-25/h1-4,6-9,16H,5,11-15,17-18H2