1-(2-adamantyl)-3-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-adamantyl)-3-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-adamantyl)-3-(3-pyridylmethyl)thiourea CAS Name: 1-(2-adamantyl)-3-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-adamantyl)-3-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-adamantyl)-3-(3-pyridylmethyl)thiourea Formula: C17H23N3S MolecularWeight: 301.44962

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NCC4=CN=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NCC4=CN=CC=C4

InChI

InChI=1S/C17H23N3S/c21-17(19-10-11-2-1-3-18-9-11)20-16-14-5-12-4-13(7-14)8-15(16)6-12/h1-3,9,12-16H,4-8,10H2,(H2,19,20,21)