1-(2-methoxy-4-nitro-phenyl)-3-pentan-3-yl-thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-pentan-3-yl-thiourea Openeye Name: 1-(1-ethylpropyl)-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-pentan-3-ylthiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-pentan-3-ylthiourea Traditional Name: 1-(1-ethylpropyl)-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c1-4-9(5-2)14-13(20)15-11-7-6-10(16(17)18)8-12(11)19-3/h6-9H,4-5H2,1-3H3,(H2,14,15,20)