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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C22H16BrN3O2S2 MolecularWeight: 498.41534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C22H16BrN3O2S2/c1-28-18-11-8-14(12-16(18)23)20(27)26-22(29)24-15-9-6-13(7-10-15)21-25-17-4-2-3-5-19(17)30-21/h2-12H,1H3,(H2,24,26,27,29)