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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-3-4-5-7-11(2)15-14(20)16-12-8-6-9-13(10-12)17(18)19/h6,8-11H,3-5,7H2,1-2H3,(H2,15,16,20)