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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1-oxopentylamino)benzamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(valerylamino)benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-3-5-6-19(25)22-15-9-7-14(8-10-15)20(26)24-21-23-17-12-11-16(27-4-2)13-18(17)28-21/h7-13H,3-6H2,1-2H3,(H,22,25)(H,23,24,26)