2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-ethylphenyl)-4-methyl-pentanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-ethylphenyl)-4-methyl-pentanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-ethylphenyl)-4-methyl-pentanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-ethylphenyl)-4-methylpentanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-ethylphenyl)-4-methylpentanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(3-ethylphenyl)-4-methyl-valeramide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C(CC(C)C)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C(CC(C)C)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H25N3O3S/c1-4-15-8-7-9-16(13-15)22-21(25)18(12-14(2)3)23-20-17-10-5-6-11-19(17)28(26,27)24-20/h5-11,13-14,18H,4,12H2,1-3H3,(H,22,25)(H,23,24)