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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C23H17BrIN3O2S2 MolecularWeight: 638.33845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrIN3O2S2/c1-2-30-19-10-7-13(11-16(19)24)21(29)28-23(31)27-17-9-8-14(25)12-15(17)22-26-18-5-3-4-6-20(18)32-22/h3-12H,2H2,1H3,(H2,27,28,29,31)