1-(1-adamantyl)-3-(4-butylphenyl)-1-methyl-thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2S/c1-3-4-5-16-6-8-20(9-7-16)23-21(25)24(2)22-13-17-10-18(14-22)12-19(11-17)15-22/h6-9,17-19H,3-5,10-15H2,1-2H3,(H,23,25)