3-(4-phenethylpiperazin-1-yl)-1-benzothiophene-2-carbonitrile

Systemtic Name: 3-(4-phenethylpiperazin-1-yl)-1-benzothiophene-2-carbonitrile Openeye Name: 3-(4-phenethylpiperazin-1-yl)benzothiophene-2-carbonitrile CAS Name: 3-(4-phenethyl-1-piperazinyl)-1-benzothiophene-2-carbonitrile IUPAC Name: 3-(4-phenethylpiperazin-1-yl)-1-benzothiophene-2-carbonitrile Traditional Name: 3-(4-phenethylpiperazino)benzothiophene-2-carbonitrile Formula: C21H21N3S MolecularWeight: 347.47654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=C(SC4=CC=CC=C43)C#N

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3=C(SC4=CC=CC=C43)C#N

InChI

InChI=1S/C21H21N3S/c22-16-20-21(18-8-4-5-9-19(18)25-20)24-14-12-23(13-15-24)11-10-17-6-2-1-3-7-17/h1-9H,10-15H2