[6-chloranyl-2-(phenylcarbamoylamino)-1,3-benzothiazol-4-yl] thiocyanate

Systemtic Name: [6-chloranyl-2-(phenylcarbamoylamino)-1,3-benzothiazol-4-yl] thiocyanate Openeye Name: [6-chloro-2-(phenylcarbamoylamino)-1,3-benzothiazol-4-yl] thiocyanate CAS Name: thiocyanic acid [2-[[anilino(oxo)methyl]amino]-6-chloro-1,3-benzothiazol-4-yl] ester IUPAC Name: [6-chloro-2-(phenylcarbamoylamino)-1,3-benzothiazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [6-chloro-2-(phenylcarbamoylamino)-1,3-benzothiazol-4-yl] ester Formula: C15H9ClN4OS2 MolecularWeight: 360.84116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=NC3=C(C=C(C=C3S2)Cl)SC#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=NC3=C(C=C(C=C3S2)Cl)SC#N

InChI

InChI=1S/C15H9ClN4OS2/c16-9-6-11(22-8-17)13-12(7-9)23-15(19-13)20-14(21)18-10-4-2-1-3-5-10/h1-7H,(H2,18,19,20,21)