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

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3,5-bis(bromanyl)-2-methoxy-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3,5-dibromo-2-methoxy-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-3,5-dibromo-2-methoxybenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3,5-dibromo-2-methoxybenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-3,5-dibromo-2-methoxy-benzamide Formula: C23H17Br2N3O3S2 MolecularWeight: 607.33738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC(=CC(=C4OC)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC(=CC(=C4OC)Br)Br

InChI

InChI=1S/C23H17Br2N3O3S2/c1-30-18-8-7-12(22-26-16-5-3-4-6-19(16)33-22)9-17(18)27-23(32)28-21(29)14-10-13(24)11-15(25)20(14)31-2/h3-11H,1-2H3,(H2,27,28,29,32)