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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-methylbutyl)-4-methylsulfanyl-butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-isopentyl-4-methylsulfanyl-butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-methylbutyl)-4-(methylthio)butanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-methylbutyl)-4-methylsulfanylbutanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-isoamyl-4-(methylthio)butyramide Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CCSC)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)CCNC(=O)C(CCSC)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C17H25N3O3S2/c1-12(2)8-10-18-17(21)14(9-11-24-3)19-16-13-6-4-5-7-15(13)25(22,23)20-16/h4-7,12,14H,8-11H2,1-3H3,(H,18,21)(H,19,20)