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

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-[(4-chlorophenyl)methyl]thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-[(4-chlorophenyl)methyl]thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-[(4-chlorophenyl)methyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-[(4-chlorophenyl)methyl]thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(4-chlorobenzyl)thiourea Formula: C22H31ClN2S MolecularWeight: 391.01294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H31ClN2S/c1-2-3-20(22-11-16-8-17(12-22)10-18(9-16)13-22)25-21(26)24-14-15-4-6-19(23)7-5-15/h4-7,16-18,20H,2-3,8-14H2,1H3,(H2,24,25,26)