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

Systemtic Name: 1-[1-(1-adamantyl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[1-(1-adamantyl)ethyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)ethyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)21-19(27)22-17-4-3-16(23(24)25)8-18(17)26-2/h3-4,8,12-15H,5-7,9-11H2,1-2H3,(H2,21,22,27)