3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-methylsulfanylphenyl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-methylsulfanylphenyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-methylsulfanylphenyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[4-(methylthio)phenyl]propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-methylsulfanylphenyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-[4-(methylthio)phenyl]propionamide Formula: C17H17N3O3S2 MolecularWeight: 375.46518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H17N3O3S2/c1-24-13-8-6-12(7-9-13)19-16(21)10-11-18-17-14-4-2-3-5-15(14)25(22,23)20-17/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)