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

Systemtic Name: 1-(4-bromophenyl)-3-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea Openeye Name: 1-(4-bromophenyl)-3-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea CAS Name: 1-(4-bromophenyl)-3-[[6-methyl-2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methyl]urea IUPAC Name: 1-(4-bromophenyl)-3-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea Traditional Name: 1-(4-bromophenyl)-3-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)SC(=C2CNC(=O)NC3=CC=C(C=C3)Br)N4C=CC=C4

Isomeric SMILES

CN1CCC2=C(C1)SC(=C2CNC(=O)NC3=CC=C(C=C3)Br)N4C=CC=C4

InChI

InChI=1S/C20H21BrN4OS/c1-24-11-8-16-17(19(27-18(16)13-24)25-9-2-3-10-25)12-22-20(26)23-15-6-4-14(21)5-7-15/h2-7,9-10H,8,11-13H2,1H3,(H2,22,23,26)