N-[6-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-1,3-benzothiazol-2-yl]-2-furamide Formula: C22H17BrN4O4S2 MolecularWeight: 545.42878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4)Br

InChI

InChI=1S/C22H17BrN4O4S2/c1-2-30-16-8-5-12(10-14(16)23)19(28)26-21(32)24-13-6-7-15-18(11-13)33-22(25-15)27-20(29)17-4-3-9-31-17/h3-11H,2H2,1H3,(H,25,27,29)(H2,24,26,28,32)