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

Systemtic Name: 3-chloranyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-methyl-4-(4-methylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)N4CCN(CC4)C

InChI

InChI=1S/C21H22ClN3OS/c1-14-13-15(7-8-17(14)25-11-9-24(2)10-12-25)23-21(26)20-19(22)16-5-3-4-6-18(16)27-20/h3-8,13H,9-12H2,1-2H3,(H,23,26)