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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]-3-benzyloxy-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]thiocarbamoyl]-3-benzoxy-benzamide Formula: C28H20BrN3O2S2 MolecularWeight: 574.5113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H20BrN3O2S2/c29-20-13-14-23(22(16-20)27-30-24-11-4-5-12-25(24)36-27)31-28(35)32-26(33)19-9-6-10-21(15-19)34-17-18-7-2-1-3-8-18/h1-16H,17H2,(H2,31,32,33,35)