1-(2-adamantyl)-3-(3-cyanophenyl)thiourea

Systemtic Name: 1-(2-adamantyl)-3-(3-cyanophenyl)thiourea Openeye Name: 1-(2-adamantyl)-3-(3-cyanophenyl)thiourea CAS Name: 1-(2-adamantyl)-3-(3-cyanophenyl)thiourea IUPAC Name: 1-(2-adamantyl)-3-(3-cyanophenyl)thiourea Traditional Name: 1-(2-adamantyl)-3-(3-cyanophenyl)thiourea Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C18H21N3S/c19-10-11-2-1-3-16(9-11)20-18(22)21-17-14-5-12-4-13(7-14)8-15(17)6-12/h1-3,9,12-15,17H,4-8H2,(H2,20,21,22)