3-[2-[4-(3-methyl-2-oxidanylidene-1,3-benzoxazol-7-yl)piperazin-1-yl]ethyl]-1-benzothiophene-5-carbonitrile

Systemtic Name: 3-[2-[4-(3-methyl-2-oxidanylidene-1,3-benzoxazol-7-yl)piperazin-1-yl]ethyl]-1-benzothiophene-5-carbonitrile Openeye Name: 3-[2-[4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperazin-1-yl]ethyl]benzothiophene-5-carbonitrile CAS Name: 3-[2-[4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)-1-piperazinyl]ethyl]-1-benzothiophene-5-carbonitrile IUPAC Name: 3-[2-[4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperazin-1-yl]ethyl]-1-benzothiophene-5-carbonitrile Traditional Name: 3-[2-[4-(2-keto-3-methyl-1,3-benzoxazol-7-yl)piperazino]ethyl]benzothiophene-5-carbonitrile Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)N3CCN(CC3)CCC4=CSC5=C4C=C(C=C5)C#N)OC1=O

Isomeric SMILES

CN1C2=C(C(=CC=C2)N3CCN(CC3)CCC4=CSC5=C4C=C(C=C5)C#N)OC1=O

InChI

InChI=1S/C23H22N4O2S/c1-25-19-3-2-4-20(22(19)29-23(25)28)27-11-9-26(10-12-27)8-7-17-15-30-21-6-5-16(14-24)13-18(17)21/h2-6,13,15H,7-12H2,1H3