1-[4-(1-adamantyl)-2-methyl-phenyl]-3-butyl-thiourea

Systemtic Name: 1-[4-(1-adamantyl)-2-methyl-phenyl]-3-butyl-thiourea Openeye Name: 1-[4-(1-adamantyl)-2-methyl-phenyl]-3-butyl-thiourea CAS Name: 1-[4-(1-adamantyl)-2-methylphenyl]-3-butylthiourea IUPAC Name: 1-[4-(1-adamantyl)-2-methylphenyl]-3-butylthiourea Traditional Name: 1-[4-(1-adamantyl)-2-methyl-phenyl]-3-butyl-thiourea Formula: C22H32N2S MolecularWeight: 356.56788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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