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

Systemtic Name: 1-(1-adamantyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea Openeye Name: 1-(1-adamantyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethyl]urea CAS Name: 1-(1-adamantyl)-3-[1-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl]urea IUPAC Name: 1-(1-adamantyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea Traditional Name: 1-(1-adamantyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethyl]urea Formula: C25H33N3OS MolecularWeight: 423.61402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H33N3OS/c1-16(22-20-6-2-3-7-21(20)30-23(22)28-8-4-5-9-28)26-24(29)27-25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,8-9,16-19H,2-3,6-7,10-15H2,1H3,(H2,26,27,29)