1-(1-adamantyl)-3-(3-chloranyl-4-methoxy-phenyl)thiourea

Systemtic Name: 1-(1-adamantyl)-3-(3-chloranyl-4-methoxy-phenyl)thiourea Openeye Name: 1-(1-adamantyl)-3-(3-chloro-4-methoxy-phenyl)thiourea CAS Name: 1-(1-adamantyl)-3-(3-chloro-4-methoxyphenyl)thiourea IUPAC Name: 1-(1-adamantyl)-3-(3-chloro-4-methoxyphenyl)thiourea Traditional Name: 1-(1-adamantyl)-3-(3-chloro-4-methoxy-phenyl)thiourea Formula: C18H23ClN2OS MolecularWeight: 350.90602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C18H23ClN2OS/c1-22-16-3-2-14(7-15(16)19)20-17(23)21-18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10H2,1H3,(H2,20,21,23)