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

Systemtic Name: 3-tert-butyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-tert-butyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(4-pyridylmethyl)thiourea CAS Name: 3-tert-butyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-tert-butyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-tert-butyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(4-pyridylmethyl)thiourea Formula: C22H28N4S MolecularWeight: 380.54952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CCN(CC3=CC=NC=C3)C(=S)NC(C)(C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CCN(CC3=CC=NC=C3)C(=S)NC(C)(C)C

InChI

InChI=1S/C22H28N4S/c1-16-18(19-7-5-6-8-20(19)24-16)11-14-26(21(27)25-22(2,3)4)15-17-9-12-23-13-10-17/h5-10,12-13,24H,11,14-15H2,1-4H3,(H,25,27)