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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-3-(2-oxidanylidenechromen-3-yl)benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3-(2-oxochromen-3-yl)benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3-(2-oxo-1-benzopyran-3-yl)benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-3-(2-oxochromen-3-yl)benzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-3-(2-ketochromen-3-yl)benzamide Formula: C29H17BrN2O3S MolecularWeight: 553.42588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H17BrN2O3S/c30-20-12-13-23(22(16-20)28-32-24-9-2-4-11-26(24)36-28)31-27(33)19-8-5-7-17(14-19)21-15-18-6-1-3-10-25(18)35-29(21)34/h1-16H,(H,31,33)