4-methyl-N-[5-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: 4-methyl-N-[5-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide Openeye Name: 4-methyl-N-[5-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide CAS Name: 4-methyl-N-[5-[(3-methyl-1-oxobutyl)amino]-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-methyl-N-[5-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide Traditional Name: N-[5-(isovalerylamino)-1,3-benzothiazol-2-yl]-4-methyl-benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC(=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC(=C3)NC(=O)CC(C)C

InChI

InChI=1S/C20H21N3O2S/c1-12(2)10-18(24)21-15-8-9-17-16(11-15)22-20(26-17)23-19(25)14-6-4-13(3)5-7-14/h4-9,11-12H,10H2,1-3H3,(H,21,24)(H,22,23,25)