1-(1-adamantylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-(1-adamantylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-(1-adamantylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-(1-adamantylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(1-adamantylmethyl)-3-homoveratryl-thiourea Formula: C22H32N2O2S MolecularWeight: 388.56668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O2S/c1-25-19-4-3-15(10-20(19)26-2)5-6-23-21(27)24-14-22-11-16-7-17(12-22)9-18(8-16)13-22/h3-4,10,16-18H,5-9,11-14H2,1-2H3,(H2,23,24,27)