3-chloranyl-N-(4-methyl-2-piperazin-1-ylcarbonyl-phenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(4-methyl-2-piperazin-1-ylcarbonyl-phenyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-methyl-2-(piperazine-1-carbonyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-methyl-2-[oxo(1-piperazinyl)methyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-methyl-2-(piperazine-1-carbonyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-methyl-2-(piperazine-1-carbonyl)phenyl]benzothiophene-2-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)N4CCNCC4

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)N4CCNCC4

InChI

InChI=1S/C21H20ClN3O2S/c1-13-6-7-16(15(12-13)21(27)25-10-8-23-9-11-25)24-20(26)19-18(22)14-4-2-3-5-17(14)28-19/h2-7,12,23H,8-11H2,1H3,(H,24,26)