4-[[6-(1,3-benzothiazol-2-ylamino)hexanoyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[6-(1,3-benzothiazol-2-ylamino)hexanoyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[6-(1,3-benzothiazol-2-ylamino)hexanoyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[6-(1,3-benzothiazol-2-ylamino)-1-oxohexyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[6-(1,3-benzothiazol-2-ylamino)hexanoyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[6-(1,3-benzothiazol-2-ylamino)hexanoyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)CCCCCNC2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)CCCCCNC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H28N4O2S/c1-24-22(29)18-13-11-17(12-14-18)16-27(2)21(28)10-4-3-7-15-25-23-26-19-8-5-6-9-20(19)30-23/h5-6,8-9,11-14H,3-4,7,10,15-16H2,1-2H3,(H,24,29)(H,25,26)