2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]-N-[2-(phenylthio)ethyl]acetamide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCSC1=CC=CC=C1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CN(CC(=O)NCCSC1=CC=CC=C1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H19N3O3S2/c1-21(18-15-9-5-6-10-16(15)26(23,24)20-18)13-17(22)19-11-12-25-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,22)