1-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazino]-3-phenyl-prop-2-yn-1-one Formula: C22H16Cl2N2O2S MolecularWeight: 443.34564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C#CC2=CC=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C#CC2=CC=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H16Cl2N2O2S/c23-16-7-8-17-18(14-16)29-21(20(17)24)22(28)26-12-10-25(11-13-26)19(27)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,10-13H2