1-(1-adamantylcarbonylamino)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(1-adamantylcarbonylamino)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(adamantane-1-carbonylamino)-3-(4-nitrophenyl)thiourea CAS Name: 1-[[1-adamantyl(oxo)methyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(adamantane-1-carbonylamino)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(adamantane-1-carbonylamino)-3-(4-nitrophenyl)thiourea Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c23-16(18-8-11-5-12(9-18)7-13(6-11)10-18)20-21-17(26)19-14-1-3-15(4-2-14)22(24)25/h1-4,11-13H,5-10H2,(H,20,23)(H2,19,21,26)