1-[4-(1-adamantyl)phenyl]-3-methyl-thiourea

Systemtic Name: 1-[4-(1-adamantyl)phenyl]-3-methyl-thiourea Openeye Name: 1-[4-(1-adamantyl)phenyl]-3-methyl-thiourea CAS Name: 1-[4-(1-adamantyl)phenyl]-3-methylthiourea IUPAC Name: 1-[4-(1-adamantyl)phenyl]-3-methylthiourea Traditional Name: 1-[4-(1-adamantyl)phenyl]-3-methyl-thiourea Formula: C18H24N2S MolecularWeight: 300.46156

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CNC(=S)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H24N2S/c1-19-17(21)20-16-4-2-15(3-5-16)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H2,19,20,21)