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

Systemtic Name: 1-[(4-isoquinolin-2-ium-2-yl-2-oxidanylidene-1,3-thiazol-5-ylidene)methylamino]thiourea Openeye Name: [(4-isoquinolin-2-ium-2-yl-2-oxo-thiazol-5-ylidene)methylamino]thiourea CAS Name: [[4-(2-isoquinolin-2-iumyl)-2-oxo-5-thiazolylidene]methylamino]thiourea IUPAC Name: [(4-isoquinolin-2-ium-2-yl-2-oxo-1,3-thiazol-5-ylidene)methylamino]thiourea Traditional Name: [(4-isoquinolin-2-ium-2-yl-2-keto-3-thiazolin-5-ylidene)methylamino]thiourea Formula: C14H12N5OS2+ MolecularWeight: 330.40798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5OS2/c15-13(21)18-16-7-11-12(17-14(20)22-11)19-6-5-9-3-1-2-4-10(9)8-19/h1-8H,(H3-,15,16,17,18,20,21)/p+1