1-hex-5-ynyl-1-methyl-3-[4-(4-propan-2-yloxypyridin-2-yl)oxyphenyl]thiourea

Systemtic Name: 1-hex-5-ynyl-1-methyl-3-[4-(4-propan-2-yloxypyridin-2-yl)oxyphenyl]thiourea Openeye Name: 1-hex-5-ynyl-3-[4-[(4-isopropoxy-2-pyridyl)oxy]phenyl]-1-methyl-thiourea CAS Name: 1-hex-5-ynyl-1-methyl-3-[4-[(4-propan-2-yloxy-2-pyridinyl)oxy]phenyl]thiourea IUPAC Name: 1-hex-5-ynyl-1-methyl-3-[4-(4-propan-2-yloxypyridin-2-yl)oxyphenyl]thiourea Traditional Name: 1-hex-5-ynyl-3-[4-[(4-isopropoxy-2-pyridyl)oxy]phenyl]-1-methyl-thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=NC=C1)OC2=CC=C(C=C2)NC(=S)N(C)CCCCC#C

Isomeric SMILES

CC(C)OC1=CC(=NC=C1)OC2=CC=C(C=C2)NC(=S)N(C)CCCCC#C

InChI

InChI=1S/C22H27N3O2S/c1-5-6-7-8-15-25(4)22(28)24-18-9-11-19(12-10-18)27-21-16-20(13-14-23-21)26-17(2)3/h1,9-14,16-17H,6-8,15H2,2-4H3,(H,24,28)