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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C23H18BrN3O2S2 MolecularWeight: 512.44192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H18BrN3O2S2/c1-13-11-14(24)12-16(20(13)29-2)21(28)27-23(30)26-17-8-4-3-7-15(17)22-25-18-9-5-6-10-19(18)31-22/h3-12H,1-2H3,(H2,26,27,28,30)