3-chloranyl-6-fluoranyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[2-methyl-4-(4-methylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C21H21ClFN3OS MolecularWeight: 417.927343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H21ClFN3OS/c1-13-11-15(26-9-7-25(2)8-10-26)4-6-17(13)24-21(27)20-19(22)16-5-3-14(23)12-18(16)28-20/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)