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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=CC(=C2OC1=O)N3CCN(CC3)CCC4=CSC5=C4C=C(C=C5)C#N)Cl

Isomeric SMILES

CN1C2=CC(=CC(=C2OC1=O)N3CCN(CC3)CCC4=CSC5=C4C=C(C=C5)C#N)Cl

InChI

InChI=1S/C23H21ClN4O2S/c1-26-19-11-17(24)12-20(22(19)30-23(26)29)28-8-6-27(7-9-28)5-4-16-14-31-21-3-2-15(13-25)10-18(16)21/h2-3,10-12,14H,4-9H2,1H3