2-[(E)-N-[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)ethanoylamino]-C-methyl-carbonimidoyl]phenolate

Systemtic Name: 2-[(E)-N-[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)ethanoylamino]-C-methyl-carbonimidoyl]phenolate Openeye Name: 2-[(E)-N-[[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]amino]-C-methyl-carbonimidoyl]phenolate CAS Name: 2-[(1E)-1-[[2-(1,3-benzothiazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]ethyl]phenolate IUPAC Name: 2-[(E)-N-[[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]amino]-C-methylcarbonimidoyl]phenolate Traditional Name: 2-[(E)-N-[[2-(1,3-benzothiazol-3-ium-2-ylthio)acetyl]amino]-C-methyl-carbonimidoyl]phenolate Formula: C17H15N3O2S2 MolecularWeight: 357.4499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=[NH+]C2=CC=CC=C2S1)C3=CC=CC=C3[O-]

Isomeric SMILES

C/C(=N\NC(=O)CSC1=[NH+]C2=CC=CC=C2S1)/C3=CC=CC=C3[O-]

InChI

InChI=1S/C17H15N3O2S2/c1-11(12-6-2-4-8-14(12)21)19-20-16(22)10-23-17-18-13-7-3-5-9-15(13)24-17/h2-9,21H,10H2,1H3,(H,20,22)/b19-11+