1-[1-(1-adamantyl)propyl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)propyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)propyl]-3-(o-tolyl)thiourea CAS Name: 1-[1-(1-adamantyl)propyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)propyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)propyl]-3-(o-tolyl)thiourea Formula: C21H30N2S MolecularWeight: 342.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=CC=C4C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=CC=C4C

InChI

InChI=1S/C21H30N2S/c1-3-19(23-20(24)22-18-7-5-4-6-14(18)2)21-11-15-8-16(12-21)10-17(9-15)13-21/h4-7,15-17,19H,3,8-13H2,1-2H3,(H2,22,23,24)