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

Systemtic Name: N-[6-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-1,3-benzothiazol-2-yl]-2-furamide Formula: C21H15BrN4O4S2 MolecularWeight: 531.4022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C21H15BrN4O4S2/c1-29-15-7-4-11(9-13(15)22)18(27)25-20(31)23-12-5-6-14-17(10-12)32-21(24-14)26-19(28)16-3-2-8-30-16/h2-10H,1H3,(H,24,26,28)(H2,23,25,27,31)