N-(4-butylsulfanylphenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(4-butylsulfanylphenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[4-(butylthio)phenyl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(4-butylsulfanylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: [4-(butylthio)phenyl]-(1,1-diketo-1,2-benzothiazol-3-yl)amine Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCSC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H18N2O2S2/c1-2-3-12-22-14-10-8-13(9-11-14)18-17-15-6-4-5-7-16(15)23(20,21)19-17/h4-11H,2-3,12H2,1H3,(H,18,19)