1-[2-(1-adamantyl)ethanoylamino]-3-(3-fluoranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-[2-(1-adamantyl)ethanoylamino]-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C20H26FN3OS MolecularWeight: 375.503343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CC23CC4CC(C2)CC(C4)C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CC23CC4CC(C2)CC(C4)C3)F

InChI

InChI=1S/C20H26FN3OS/c1-12-2-3-16(7-17(12)21)22-19(26)24-23-18(25)11-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15H,4-6,8-11H2,1H3,(H,23,25)(H2,22,24,26)