N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3-bromanyl-4-ethoxy-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C24H20BrN3O3S2 MolecularWeight: 542.4679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrN3O3S2/c1-3-31-19-10-8-14(12-16(19)25)22(29)28-24(32)27-18-13-15(9-11-20(18)30-2)23-26-17-6-4-5-7-21(17)33-23/h4-13H,3H2,1-2H3,(H2,27,28,29,32)