3-(1,3-benzothiazol-2-yl)-N-[3-fluoranyl-4-(4-methyl-1,4-diazepan-1-yl)phenyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[3-fluoranyl-4-(4-methyl-1,4-diazepan-1-yl)phenyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]propionamide Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4S3)F

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C22H25FN4OS/c1-26-11-4-12-27(14-13-26)19-8-7-16(15-17(19)23)24-21(28)9-10-22-25-18-5-2-3-6-20(18)29-22/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,28)