3-chloranyl-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]benzothiophene-2-carboxamide Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C

InChI

InChI=1S/C22H24ClN3OS/c1-3-25-10-12-26(13-11-25)16-8-9-18(15(2)14-16)24-22(27)21-20(23)17-6-4-5-7-19(17)28-21/h4-9,14H,3,10-13H2,1-2H3,(H,24,27)