1-(2-methylprop-2-enyl)-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea

Systemtic Name: 1-(2-methylprop-2-enyl)-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea Openeye Name: 1-(2-methylallyl)-3-[(E)-(4-nitrophenyl)methyleneamino]thiourea CAS Name: 1-(2-methylprop-2-enyl)-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-(2-methylprop-2-enyl)-3-[(E)-(4-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-(2-methylallyl)-3-[(E)-(4-nitrobenzylidene)amino]thiourea Formula: C12H14N4O2S MolecularWeight: 278.33016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NN=CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CNC(=S)N/N=C/C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O2S/c1-9(2)7-13-12(19)15-14-8-10-3-5-11(6-4-10)16(17)18/h3-6,8H,1,7H2,2H3,(H2,13,15,19)/b14-8+