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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3,5-bis(bromanyl)-2-methoxy-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3,5-dibromo-2-methoxy-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3,5-dibromo-2-methoxybenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3,5-dibromo-2-methoxybenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3,5-dibromo-2-methoxy-benzamide Formula: C22H15Br2N3O2S2 MolecularWeight: 577.3114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)Br)Br

InChI

InChI=1S/C22H15Br2N3O2S2/c1-29-19-14(10-12(23)11-15(19)24)20(28)27-22(30)26-16-7-3-2-6-13(16)21-25-17-8-4-5-9-18(17)31-21/h2-11H,1H3,(H2,26,27,28,30)