3-[3-[4-(5-chloranyl-2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propyl]-1-benzothiophene-5-carbonitrile

Systemtic Name: 3-[3-[4-(5-chloranyl-2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propyl]-1-benzothiophene-5-carbonitrile Openeye Name: 3-[3-[4-(5-chloro-2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propyl]benzothiophene-5-carbonitrile CAS Name: 3-[3-[4-(5-chloro-2-oxo-3H-1,3-benzoxazol-7-yl)-1-piperazinyl]propyl]-1-benzothiophene-5-carbonitrile IUPAC Name: 3-[3-[4-(5-chloro-2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propyl]-1-benzothiophene-5-carbonitrile Traditional Name: 3-[3-[4-(5-chloro-2-keto-3H-1,3-benzoxazol-7-yl)piperazino]propyl]benzothiophene-5-carbonitrile Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CSC3=C2C=C(C=C3)C#N)C4=C5C(=CC(=C4)Cl)NC(=O)O5

Isomeric SMILES

C1CN(CCN1CCCC2=CSC3=C2C=C(C=C3)C#N)C4=C5C(=CC(=C4)Cl)NC(=O)O5

InChI

InChI=1S/C23H21ClN4O2S/c24-17-11-19-22(30-23(29)26-19)20(12-17)28-8-6-27(7-9-28)5-1-2-16-14-31-21-4-3-15(13-25)10-18(16)21/h3-4,10-12,14H,1-2,5-9H2,(H,26,29)