N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-bromanyl-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-bromanyl-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-bromo-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-bromobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-2-bromobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-bromo-benzamide Formula: C22H16BrN3OS2 MolecularWeight: 482.41594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C22H16BrN3OS2/c1-13-10-11-14(21-24-17-8-4-5-9-19(17)29-21)12-18(13)25-22(28)26-20(27)15-6-2-3-7-16(15)23/h2-12H,1H3,(H2,25,26,27,28)