N-[1-(1,3-benzothiazol-2-ylmethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-benzamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-ylmethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-benzamide Openeye Name: N-[1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-3-methyl-butyl]-2-methyl-benzamide CAS Name: N-[1-(1,3-benzothiazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide IUPAC Name: N-[1-(1,3-benzothiazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide Traditional Name: N-[1-(1,3-benzothiazol-2-ylmethylcarbamoyl)-3-methyl-butyl]-2-methyl-benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25N3O2S/c1-14(2)12-18(25-21(26)16-9-5-4-8-15(16)3)22(27)23-13-20-24-17-10-6-7-11-19(17)28-20/h4-11,14,18H,12-13H2,1-3H3,(H,23,27)(H,25,26)