3-chloranyl-N-[4-(1-oxidanylidene-1-piperazin-1-yl-propan-2-yl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(1-oxidanylidene-1-piperazin-1-yl-propan-2-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(1-methyl-2-oxo-2-piperazin-1-yl-ethyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[1-oxo-1-(1-piperazinyl)propan-2-yl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(2-keto-1-methyl-2-piperazino-ethyl)phenyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)N4CCNCC4

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)N4CCNCC4

InChI

InChI=1S/C22H22ClN3O2S/c1-14(22(28)26-12-10-24-11-13-26)15-6-8-16(9-7-15)25-21(27)20-19(23)17-4-2-3-5-18(17)29-20/h2-9,14,24H,10-13H2,1H3,(H,25,27)