N-[3-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O2S/c25-19(10-11-20-24-17-6-1-2-7-18(17)27-20)22-13-14-4-3-5-16(12-14)23-21(26)15-8-9-15/h1-7,12,15H,8-11,13H2,(H,22,25)(H,23,26)