3-bromanyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C22H16BrN3OS2 MolecularWeight: 482.41594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br

InChI

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