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

Systemtic Name: 5-(4-bromophenyl)-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-furamide Formula: C23H19BrN4O3S2 MolecularWeight: 543.45596

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H19BrN4O3S2/c24-15-3-1-14(2-4-15)18-7-8-19(31-18)21(29)26-22(32)27-23-25-17-6-5-16(13-20(17)33-23)28-9-11-30-12-10-28/h1-8,13H,9-12H2,(H2,25,26,27,29,32)