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

Systemtic Name: 4-[(Z)-N-[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)ethanoylamino]-C-ethyl-carbonimidoyl]phenolate Openeye Name: 4-[(Z)-N-[[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]amino]-C-ethyl-carbonimidoyl]phenolate CAS Name: 4-[(1Z)-1-[[2-(1,3-benzothiazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]propyl]phenolate IUPAC Name: 4-[(Z)-N-[[2-(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]amino]-C-ethylcarbonimidoyl]phenolate Traditional Name: 4-[(Z)-N-[[2-(1,3-benzothiazol-3-ium-2-ylthio)acetyl]amino]-C-ethyl-carbonimidoyl]phenolate Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S2/c1-2-14(12-7-9-13(22)10-8-12)20-21-17(23)11-24-18-19-15-5-3-4-6-16(15)25-18/h3-10,22H,2,11H2,1H3,(H,21,23)/b20-14-