1-[1-(1-adamantyl)ethyl]-3-(5-chloranyl-2-methoxy-phenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)ethyl]-3-(5-chloranyl-2-methoxy-phenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)ethyl]-3-(5-chloro-2-methoxy-phenyl)thiourea CAS Name: 1-[1-(1-adamantyl)ethyl]-3-(5-chloro-2-methoxyphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)ethyl]-3-(5-chloro-2-methoxyphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)ethyl]-3-(5-chloro-2-methoxy-phenyl)thiourea Formula: C20H27ClN2OS MolecularWeight: 378.95918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C20H27ClN2OS/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)22-19(25)23-17-8-16(21)3-4-18(17)24-2/h3-4,8,12-15H,5-7,9-11H2,1-2H3,(H2,22,23,25)