4-(1,3-benzothiazol-5-ylsulfanylcarbamoylamino)-2-fluoranyl-3-phenyl-benzamide

Systemtic Name: 4-(1,3-benzothiazol-5-ylsulfanylcarbamoylamino)-2-fluoranyl-3-phenyl-benzamide Openeye Name: 4-(1,3-benzothiazol-5-ylsulfanylcarbamoylamino)-2-fluoro-3-phenyl-benzamide CAS Name: 4-[[[(1,3-benzothiazol-5-ylthio)amino]-oxomethyl]amino]-2-fluoro-3-phenylbenzamide IUPAC Name: 4-(1,3-benzothiazol-5-ylsulfanylcarbamoylamino)-2-fluoro-3-phenylbenzamide Traditional Name: 4-[(1,3-benzothiazol-5-ylthio)carbamoylamino]-2-fluoro-3-phenyl-benzamide Formula: C21H15FN4O2S2 MolecularWeight: 438.497803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2F)C(=O)N)NC(=O)NSC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2F)C(=O)N)NC(=O)NSC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C21H15FN4O2S2/c22-19-14(20(23)27)7-8-15(18(19)12-4-2-1-3-5-12)25-21(28)26-30-13-6-9-17-16(10-13)24-11-29-17/h1-11H,(H2,23,27)(H2,25,26,28)