2-[[(4-isoquinolin-2-ium-2-yl-2-oxidanylidene-1,3-thiazol-5-ylidene)methylamino]carbamoyl]phenolate

Systemtic Name: 2-[[(4-isoquinolin-2-ium-2-yl-2-oxidanylidene-1,3-thiazol-5-ylidene)methylamino]carbamoyl]phenolate Openeye Name: 2-[[(4-isoquinolin-2-ium-2-yl-2-oxo-thiazol-5-ylidene)methylamino]carbamoyl]phenolate CAS Name: 2-[[[4-(2-isoquinolin-2-iumyl)-2-oxo-5-thiazolylidene]methylhydrazo]-oxomethyl]phenolate IUPAC Name: 2-[[(4-isoquinolin-2-ium-2-yl-2-oxo-1,3-thiazol-5-ylidene)methylamino]carbamoyl]phenolate Traditional Name: 2-[[(4-isoquinolin-2-ium-2-yl-2-keto-3-thiazolin-5-ylidene)methylamino]carbamoyl]phenolate Formula: C20H14N4O3S MolecularWeight: 390.41516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)C3=NC(=O)SC3=CNNC(=O)C4=CC=CC=C4[O-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)C3=NC(=O)SC3=CNNC(=O)C4=CC=CC=C4[O-]

InChI

InChI=1S/C20H14N4O3S/c25-16-8-4-3-7-15(16)19(26)23-21-11-17-18(22-20(27)28-17)24-10-9-13-5-1-2-6-14(13)12-24/h1-12H,(H2-,21,22,23,25,26,27)