1-[1-(1-adamantyl)butyl]-3-(3,4-dimethoxyphenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-(3,4-dimethoxyphenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(3,4-dimethoxyphenyl)thiourea Formula: C23H34N2O2S MolecularWeight: 402.59326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O2S/c1-4-5-21(23-12-15-8-16(13-23)10-17(9-15)14-23)25-22(28)24-18-6-7-19(26-2)20(11-18)27-3/h6-7,11,15-17,21H,4-5,8-10,12-14H2,1-3H3,(H2,24,25,28)