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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-bromo-2-methoxy-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-5-bromo-2-methoxybenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-bromo-2-methoxybenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-5-bromo-2-methoxy-benzamide Formula: C23H18BrN3O2S2 MolecularWeight: 512.44192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H18BrN3O2S2/c1-29-19-11-10-16(24)12-17(19)21(28)27-23(30)25-13-14-6-8-15(9-7-14)22-26-18-4-2-3-5-20(18)31-22/h2-12H,13H2,1H3,(H2,25,27,28,30)