1-(1-adamantyl)-3-[(4-nitrophenyl)carbonylamino]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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