N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-bromanyl-benzamide

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-bromanyl-benzamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-bromo-benzamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-bromobenzamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-bromobenzamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-bromo-benzamide Formula: C17H13BrN4O2S2 MolecularWeight: 449.34472

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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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN4O2S2/c1-9(23)19-12-5-6-13-14(8-12)26-17(20-13)22-16(25)21-15(24)10-3-2-4-11(18)7-10/h2-8H,1H3,(H,19,23)(H2,20,21,22,24,25)