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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-ethylphenyl)-3-methyl-butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-ethylphenyl)-3-methyl-butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-ethylphenyl)-3-methylbutanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-ethylphenyl)-3-methylbutanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(4-ethylphenyl)-3-methyl-butyramide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-4-14-9-11-15(12-10-14)21-20(24)18(13(2)3)22-19-16-7-5-6-8-17(16)27(25,26)23-19/h5-13,18H,4H2,1-3H3,(H,21,24)(H,22,23)