5-(4-bromophenyl)-N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-furamide Formula: C20H13BrClN3O3S2 MolecularWeight: 522.82252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C20H13BrClN3O3S2/c1-27-16-9-17-13(8-12(16)22)23-20(30-17)25-19(29)24-18(26)15-7-6-14(28-15)10-2-4-11(21)5-3-10/h2-9H,1H3,(H2,23,24,25,26,29)