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

Systemtic Name: N-[1-(1,3-benzothiazol-2-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-benzamide Openeye Name: N-[1-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-butyl]-2-methyl-benzamide CAS Name: N-[1-(1,3-benzothiazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide IUPAC Name: N-[1-(1,3-benzothiazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide Traditional Name: N-[1-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-butyl]-2-methyl-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S/c1-13(2)12-17(22-19(25)15-9-5-4-8-14(15)3)20(26)24-21-23-16-10-6-7-11-18(16)27-21/h4-11,13,17H,12H2,1-3H3,(H,22,25)(H,23,24,26)