1-[1-(1-adamantyl)ethyl]-3-(2,3-dimethylphenyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H30N2S/c1-13-5-4-6-19(14(13)2)23-20(24)22-15(3)21-10-16-7-17(11-21)9-18(8-16)12-21/h4-6,15-18H,7-12H2,1-3H3,(H2,22,23,24)