1-(4-bromophenyl)-3-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)urea

Systemtic Name: 1-(4-bromophenyl)-3-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)urea Openeye Name: 1-(4-bromophenyl)-3-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)urea CAS Name: 1-(4-bromophenyl)-3-[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]urea IUPAC Name: 1-(4-bromophenyl)-3-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)urea Traditional Name: 1-(4-bromophenyl)-3-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)urea Formula: C20H17BrN4OS MolecularWeight: 441.34418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)NC(=O)NC3=CC=C(C=C3)Br)N4C=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)NC(=O)NC3=CC=C(C=C3)Br)N4C=CC=C4)C

InChI

InChI=1S/C20H17BrN4OS/c1-12-11-13(2)22-18-16(12)17(25-9-3-4-10-25)19(27-18)24-20(26)23-15-7-5-14(21)6-8-15/h3-11H,1-2H3,(H2,23,24,26)