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

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H31N3O3S/c1-3-4-20(22-11-14-7-15(12-22)9-16(8-14)13-22)24-21(29)23-18-6-5-17(25(26)27)10-19(18)28-2/h5-6,10,14-16,20H,3-4,7-9,11-13H2,1-2H3,(H2,23,24,29)