3-(2,4-dimethylphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(2,4-dimethylphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2,4-dimethylphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2,4-dimethylphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2,4-dimethylphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2,4-dimethylphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-(3-pyridylmethyl)thiourea Formula: C27H30N4OS MolecularWeight: 458.6183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CCC2=C(NC3=C2C=C(C=C3)OC)C)CC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CCC2=C(NC3=C2C=C(C=C3)OC)C)CC4=CN=CC=C4)C

InChI

InChI=1S/C27H30N4OS/c1-18-7-9-25(19(2)14-18)30-27(33)31(17-21-6-5-12-28-16-21)13-11-23-20(3)29-26-10-8-22(32-4)15-24(23)26/h5-10,12,14-16,29H,11,13,17H2,1-4H3,(H,30,33)