N-(6-methyl-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(1-oxopentylamino)benzamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(valerylamino)benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C20H21N3O2S/c1-3-4-5-18(24)21-15-9-7-14(8-10-15)19(25)23-20-22-16-11-6-13(2)12-17(16)26-20/h6-12H,3-5H2,1-2H3,(H,21,24)(H,22,23,25)