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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

InChI

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