1-(1-adamantyl)-3-[2-(4-ethylphenyl)ethyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[2-(4-ethylphenyl)ethyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[2-(4-ethylphenyl)ethyl]thiourea CAS Name: 1-(1-adamantyl)-3-[2-(4-ethylphenyl)ethyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[2-(4-ethylphenyl)ethyl]thiourea Traditional Name: 1-(1-adamantyl)-3-[2-(4-ethylphenyl)ethyl]thiourea Formula: C21H30N2S MolecularWeight: 342.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCNC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC1=CC=C(C=C1)CCNC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2S/c1-2-15-3-5-16(6-4-15)7-8-22-20(24)23-21-12-17-9-18(13-21)11-19(10-17)14-21/h3-6,17-19H,2,7-14H2,1H3,(H2,22,23,24)