1-(1-adamantylmethyl)-3-(2-chloranyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-(1-adamantylmethyl)-3-(2-chloranyl-5-nitro-phenyl)thiourea Openeye Name: 1-(1-adamantylmethyl)-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 1-(1-adamantylmethyl)-3-(2-chloro-5-nitrophenyl)thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1-(1-adamantylmethyl)-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN3O2S/c19-15-2-1-14(22(23)24)6-16(15)21-17(25)20-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H2,20,21,25)