1-(2-methoxy-4-nitro-phenyl)-3-pentyl-thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-pentyl-thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-pentyl-thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-pentylthiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-pentylthiourea Traditional Name: 1-amyl-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

InChI

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