1-(5-methyl-4-oxidanylidene-hexyl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(5-methyl-4-oxidanylidene-hexyl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(5-methyl-4-oxo-hexyl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(5-methyl-4-oxohexyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(5-methyl-4-oxohexyl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(4-keto-5-methyl-hexyl)-3-(4-nitrophenyl)thiourea Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CCCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)CCCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O3S/c1-10(2)13(18)4-3-9-15-14(21)16-11-5-7-12(8-6-11)17(19)20/h5-8,10H,3-4,9H2,1-2H3,(H2,15,16,21)