1-(1-adamantyl)-3-(4-butan-2-ylphenyl)-1-methyl-thiourea

Systemtic Name: 1-(1-adamantyl)-3-(4-butan-2-ylphenyl)-1-methyl-thiourea Openeye Name: 1-(1-adamantyl)-1-methyl-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(1-adamantyl)-3-(4-butan-2-ylphenyl)-1-methylthiourea IUPAC Name: 1-(1-adamantyl)-3-(4-butan-2-ylphenyl)-1-methylthiourea Traditional Name: 1-(1-adamantyl)-1-methyl-3-(4-sec-butylphenyl)thiourea Formula: C22H32N2S MolecularWeight: 356.56788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2S/c1-4-15(2)19-5-7-20(8-6-19)23-21(25)24(3)22-12-16-9-17(13-22)11-18(10-16)14-22/h5-8,15-18H,4,9-14H2,1-3H3,(H,23,25)