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

Systemtic Name: 4-[(E)-N-[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)ethanoylamino]-C-methyl-carbonimidoyl]phenolate Openeye Name: 4-[(E)-N-[[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]amino]-C-methyl-carbonimidoyl]phenolate CAS Name: 4-[(1E)-1-[[2-(1,3-benzothiazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]ethyl]phenolate IUPAC Name: 4-[(E)-N-[[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]amino]-C-methylcarbonimidoyl]phenolate Traditional Name: 4-[(E)-N-[[2-(1,3-benzothiazol-3-ium-2-ylthio)acetyl]amino]-C-methyl-carbonimidoyl]phenolate Formula: C17H15N3O2S2 MolecularWeight: 357.4499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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