1-(2-adamantyl)-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-(2-adamantyl)-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-(2-adamantyl)-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-(2-adamantyl)-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-(2-adamantyl)-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(2-adamantyl)-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C18H23N3O3S/c1-24-16-9-14(21(22)23)2-3-15(16)19-18(25)20-17-12-5-10-4-11(7-12)8-13(17)6-10/h2-3,9-13,17H,4-8H2,1H3,(H2,19,20,25)