1-(1-adamantylmethyl)-3-(3,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-(1-adamantylmethyl)-3-(3,5-dimethoxyphenyl)thiourea Openeye Name: 1-(1-adamantylmethyl)-3-(3,5-dimethoxyphenyl)thiourea CAS Name: 1-(1-adamantylmethyl)-3-(3,5-dimethoxyphenyl)thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-(3,5-dimethoxyphenyl)thiourea Traditional Name: 1-(1-adamantylmethyl)-3-(3,5-dimethoxyphenyl)thiourea Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)NCC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)NCC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C20H28N2O2S/c1-23-17-6-16(7-18(8-17)24-2)22-19(25)21-12-20-9-13-3-14(10-20)5-15(4-13)11-20/h6-8,13-15H,3-5,9-12H2,1-2H3,(H2,21,22,25)