1-(1-adamantyl)-1-methyl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(1-adamantyl)-1-methyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-(1-adamantyl)-1-methyl-3-(4-nitrophenyl)thiourea CAS Name: 1-(1-adamantyl)-1-methyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(1-adamantyl)-1-methyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-(1-adamantyl)-1-methyl-3-(4-nitrophenyl)thiourea Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1=CC=C(C=C1)[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C(=S)NC1=CC=C(C=C1)[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H23N3O2S/c1-20(17(24)19-15-2-4-16(5-3-15)21(22)23)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H,19,24)