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

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-5-(4-bromophenyl)-2-furancarboxamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-5-(4-bromophenyl)-2-furamide Formula: C21H15BrN4O3S2 MolecularWeight: 515.4028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN4O3S2/c1-11(27)23-14-6-7-15-18(10-14)31-21(24-15)26-20(30)25-19(28)17-9-8-16(29-17)12-2-4-13(22)5-3-12/h2-10H,1H3,(H,23,27)(H2,24,25,26,28,30)