1-(4-bromanyl-3-methyl-phenyl)-3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[[6-ethyl-2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methyl]urea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea Formula: C22H25BrN4OS MolecularWeight: 473.4291

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2CNC(=O)NC3=CC(=C(C=C3)Br)C)N4C=CC=C4

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2CNC(=O)NC3=CC(=C(C=C3)Br)C)N4C=CC=C4

InChI

InChI=1S/C22H25BrN4OS/c1-3-26-11-8-17-18(21(29-20(17)14-26)27-9-4-5-10-27)13-24-22(28)25-16-6-7-19(23)15(2)12-16/h4-7,9-10,12H,3,8,11,13-14H2,1-2H3,(H2,24,25,28)