1-[1-(1-adamantyl)butyl]-3-(2-chlorophenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-(2-chlorophenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-(2-chlorophenyl)thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-(2-chlorophenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-(2-chlorophenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(2-chlorophenyl)thiourea Formula: C21H29ClN2S MolecularWeight: 376.98636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=CC=C4Cl

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=CC=C4Cl

InChI

InChI=1S/C21H29ClN2S/c1-2-5-19(24-20(25)23-18-7-4-3-6-17(18)22)21-11-14-8-15(12-21)10-16(9-14)13-21/h3-4,6-7,14-16,19H,2,5,8-13H2,1H3,(H2,23,24,25)