3-tert-butyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-tert-butyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-tert-butyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(2-pyridylmethyl)thiourea CAS Name: 3-tert-butyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-tert-butyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-tert-butyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(2-pyridylmethyl)thiourea Formula: C23H30N4S MolecularWeight: 394.5761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCN(CC3=CC=CC=N3)C(=S)NC(C)(C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCN(CC3=CC=CC=N3)C(=S)NC(C)(C)C)C

InChI

InChI=1S/C23H30N4S/c1-16-9-10-21-20(14-16)19(17(2)25-21)11-13-27(22(28)26-23(3,4)5)15-18-8-6-7-12-24-18/h6-10,12,14,25H,11,13,15H2,1-5H3,(H,26,28)