1-(1-adamantyl)-3-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]thiourea CAS Name: 1-(1-adamantyl)-3-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[4-(4-chloro-2-methylphenoxy)butanoylamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]thiourea Formula: C22H30ClN3O2S MolecularWeight: 436.0105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30ClN3O2S/c1-14-7-18(23)4-5-19(14)28-6-2-3-20(27)25-26-21(29)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h4-5,7,15-17H,2-3,6,8-13H2,1H3,(H,25,27)(H2,24,26,29)