3-tert-butyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-tert-butyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-tert-butyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(4-pyridylmethyl)thiourea CAS Name: 3-tert-butyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-tert-butyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-tert-butyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(4-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=NC=C3)C(=S)NC(C)(C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCN(CC3=CC=NC=C3)C(=S)NC(C)(C)C)C

InChI

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