N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(m-tolyl)piperazin-1-yl]propanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(3-methylphenyl)-1-piperazinyl]propanamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(m-tolyl)piperazino]propionamide Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C21H23FN4OS/c1-14-4-3-5-17(12-14)26-10-8-25(9-11-26)15(2)20(27)24-21-23-18-7-6-16(22)13-19(18)28-21/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,24,27)