N-ethanoyl-N-[4-[4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]butyl]-2-methyl-propanamide

Systemtic Name: N-ethanoyl-N-[4-[4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]butyl]-2-methyl-propanamide Openeye Name: N-acetyl-N-[4-[4-(6-fluorobenzothiophen-3-yl)piperazin-1-yl]butyl]-2-methyl-propanamide CAS Name: N-acetyl-N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)-1-piperazinyl]butyl]-2-methylpropanamide IUPAC Name: N-acetyl-N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]-2-methylpropanamide Traditional Name: N-acetyl-N-[4-[4-(6-fluorobenzothiophen-3-yl)piperazino]butyl]-2-methyl-propionamide Formula: C22H30FN3O2S MolecularWeight: 419.555903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CCCCN1CCN(CC1)C2=CSC3=C2C=CC(=C3)F)C(=O)C

Isomeric SMILES

CC(C)C(=O)N(CCCCN1CCN(CC1)C2=CSC3=C2C=CC(=C3)F)C(=O)C

InChI

InChI=1S/C22H30FN3O2S/c1-16(2)22(28)26(17(3)27)9-5-4-8-24-10-12-25(13-11-24)20-15-29-21-14-18(23)6-7-19(20)21/h6-7,14-16H,4-5,8-13H2,1-3H3