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

Systemtic Name: 1-(1-adamantyl)-3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea Openeye Name: 1-(1-adamantyl)-3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea CAS Name: 1-(1-adamantyl)-3-[[6-ethyl-2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methyl]urea IUPAC Name: 1-(1-adamantyl)-3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea Traditional Name: 1-(1-adamantyl)-3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]urea Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2CNC(=O)NC34CC5CC(C3)CC(C5)C4)N6C=CC=C6

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2CNC(=O)NC34CC5CC(C3)CC(C5)C4)N6C=CC=C6

InChI

InChI=1S/C25H34N4OS/c1-2-28-8-5-20-21(23(31-22(20)16-28)29-6-3-4-7-29)15-26-24(30)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h3-4,6-7,17-19H,2,5,8-16H2,1H3,(H2,26,27,30)