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

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-(4-chlorophenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-(4-chlorophenyl)thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-(4-chlorophenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-(4-chlorophenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(4-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=C(C=C4)Cl

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H29ClN2S/c1-2-3-19(24-20(25)23-18-6-4-17(22)5-7-18)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16,19H,2-3,8-13H2,1H3,(H2,23,24,25)