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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]-3-chloro-4-ethoxy-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]-3-chloro-4-ethoxybenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]-3-chloro-4-ethoxybenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]thiocarbamoyl]-3-chloro-4-ethoxy-benzamide Formula: C23H17BrClN3O2S2 MolecularWeight: 546.88698

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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)Br)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrClN3O2S2/c1-2-30-19-10-7-13(11-16(19)25)21(29)28-23(31)27-17-9-8-14(24)12-15(17)22-26-18-5-3-4-6-20(18)32-22/h3-12H,2H2,1H3,(H2,27,28,29,31)