1-heptan-2-yl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-heptan-2-yl-3-(4-nitrophenyl)thiourea Openeye Name: 1-(1-methylhexyl)-3-(4-nitrophenyl)thiourea CAS Name: 1-heptan-2-yl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-heptan-2-yl-3-(4-nitrophenyl)thiourea Traditional Name: 1-(1-methylhexyl)-3-(4-nitrophenyl)thiourea Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-3-4-5-6-11(2)15-14(20)16-12-7-9-13(10-8-12)17(18)19/h7-11H,3-6H2,1-2H3,(H2,15,16,20)