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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C23H18BrN3O2S2 MolecularWeight: 512.44192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

InChI

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