1-cyclopentyl-3-(3-methyl-2-propan-2-yl-phenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-cyclopentyl-3-(3-methyl-2-propan-2-yl-phenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-cyclopentyl-3-(2-isopropyl-3-methyl-phenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-cyclopentyl-3-(3-methyl-2-propan-2-ylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-cyclopentyl-3-(3-methyl-2-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-cyclopentyl-3-(2-isopropyl-3-methyl-phenyl)-1-(3-pyridylmethyl)thiourea Formula: C22H29N3S MolecularWeight: 367.55076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N(CC2=CN=CC=C2)C3CCCC3)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N(CC2=CN=CC=C2)C3CCCC3)C(C)C

InChI

InChI=1S/C22H29N3S/c1-16(2)21-17(3)8-6-12-20(21)24-22(26)25(19-10-4-5-11-19)15-18-9-7-13-23-14-18/h6-9,12-14,16,19H,4-5,10-11,15H2,1-3H3,(H,24,26)