4-[[3-(1,3-benzothiazol-2-yl)propanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[3-(1,3-benzothiazol-2-yl)propanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[3-(1,3-benzothiazol-2-yl)propanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]-cyclopropylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[3-(1,3-benzothiazol-2-yl)propanoyl-cyclopropylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[3-(1,3-benzothiazol-2-yl)propanoyl-cyclopropyl-amino]methyl]-N-methyl-benzamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O2S/c1-23-22(27)16-8-6-15(7-9-16)14-25(17-10-11-17)21(26)13-12-20-24-18-4-2-3-5-19(18)28-20/h2-9,17H,10-14H2,1H3,(H,23,27)