1-(1-adamantyl)-3-(phenylsulfonyl)thiourea

Systemtic Name: 1-(1-adamantyl)-3-(phenylsulfonyl)thiourea Openeye Name: 1-(1-adamantyl)-3-(benzenesulfonyl)thiourea CAS Name: 1-(1-adamantyl)-3-(benzenesulfonyl)thiourea IUPAC Name: 1-(1-adamantyl)-3-(benzenesulfonyl)thiourea Traditional Name: 1-(1-adamantyl)-3-besyl-thiourea Formula: C17H22N2O2S2 MolecularWeight: 350.49878

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H22N2O2S2/c20-23(21,15-4-2-1-3-5-15)19-16(22)18-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H2,18,19,22)