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

Systemtic Name: 1-hexyl-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-hexyl-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-hexyl-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-hexyl-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-hexyl-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-3-4-5-6-9-15-14(21)16-12-8-7-11(17(18)19)10-13(12)20-2/h7-8,10H,3-6,9H2,1-2H3,(H2,15,16,21)