1-cyclohexyl-3-(2,5-dimethylphenyl)-1-(1-pyridin-3-ylethyl)thiourea

Systemtic Name: 1-cyclohexyl-3-(2,5-dimethylphenyl)-1-(1-pyridin-3-ylethyl)thiourea Openeye Name: 1-cyclohexyl-3-(2,5-dimethylphenyl)-1-[1-(3-pyridyl)ethyl]thiourea CAS Name: 1-cyclohexyl-3-(2,5-dimethylphenyl)-1-[1-(3-pyridinyl)ethyl]thiourea IUPAC Name: 1-cyclohexyl-3-(2,5-dimethylphenyl)-1-(1-pyridin-3-ylethyl)thiourea Traditional Name: 1-cyclohexyl-3-(2,5-dimethylphenyl)-1-[1-(3-pyridyl)ethyl]thiourea Formula: C22H29N3S MolecularWeight: 367.55076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N(C2CCCCC2)C(C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N(C2CCCCC2)C(C)C3=CN=CC=C3

InChI

InChI=1S/C22H29N3S/c1-16-11-12-17(2)21(14-16)24-22(26)25(20-9-5-4-6-10-20)18(3)19-8-7-13-23-15-19/h7-8,11-15,18,20H,4-6,9-10H2,1-3H3,(H,24,26)