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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-dimethylaminophenyl)-4-methylsulfanyl-butanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-butanamide CAS Name: N-(4-dimethylaminophenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)butanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanylbutanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(4-dimethylaminophenyl)-4-(methylthio)butyramide Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S2/c1-24(2)15-10-8-14(9-11-15)21-20(25)17(12-13-28-3)22-19-16-6-4-5-7-18(16)29(26,27)23-19/h4-11,17H,12-13H2,1-3H3,(H,21,25)(H,22,23)