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

Systemtic Name: 1-(1-adamantyl)-3-(2-methoxy-4-nitro-phenyl)-1-methyl-thiourea Openeye Name: 1-(1-adamantyl)-3-(2-methoxy-4-nitro-phenyl)-1-methyl-thiourea CAS Name: 1-(1-adamantyl)-3-(2-methoxy-4-nitrophenyl)-1-methylthiourea IUPAC Name: 1-(1-adamantyl)-3-(2-methoxy-4-nitrophenyl)-1-methylthiourea Traditional Name: 1-(1-adamantyl)-3-(2-methoxy-4-nitro-phenyl)-1-methyl-thiourea Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-21(19-9-12-5-13(10-19)7-14(6-12)11-19)18(26)20-16-4-3-15(22(23)24)8-17(16)25-2/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,20,26)