1-(1-adamantyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Openeye Name: 1-(1-adamantyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea CAS Name: 1-(1-adamantyl)-3-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]urea IUPAC Name: 1-(1-adamantyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Traditional Name: 1-(1-adamantyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)CNC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)CNC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H31N3OS/c28-23(26-24-12-16-9-17(13-24)11-18(10-16)14-24)25-15-20-19-5-1-2-6-21(19)29-22(20)27-7-3-4-8-27/h3-4,7-8,16-18H,1-2,5-6,9-15H2,(H2,25,26,28)