N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-propan-2-yl-benzamide

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-propan-2-yl-benzamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-isopropyl-benzamide CAS Name: N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]-4-propan-2-ylbenzamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-propan-2-ylbenzamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-4-isopropyl-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H23N3O2S/c1-4-5-19(25)24-21-23-17-11-10-16(12-18(17)27-21)22-20(26)15-8-6-14(7-9-15)13(2)3/h6-13H,4-5H2,1-3H3,(H,22,26)(H,23,24,25)