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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S2/c1-3-4-7-11-18-17(21)14(10-12-24-2)19-16-13-8-5-6-9-15(13)25(22,23)20-16/h5-6,8-9,14H,3-4,7,10-12H2,1-2H3,(H,18,21)(H,19,20)