1-butyl-3-(2-nitro-5-propylsulfanyl-phenyl)urea

Systemtic Name: 1-butyl-3-(2-nitro-5-propylsulfanyl-phenyl)urea Openeye Name: 1-butyl-3-(2-nitro-5-propylsulfanyl-phenyl)urea CAS Name: 1-butyl-3-[2-nitro-5-(propylthio)phenyl]urea IUPAC Name: 1-butyl-3-(2-nitro-5-propylsulfanylphenyl)urea Traditional Name: 1-butyl-3-[2-nitro-5-(propylthio)phenyl]urea Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C=CC(=C1)SCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NC1=C(C=CC(=C1)SCCC)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O3S/c1-3-5-8-15-14(18)16-12-10-11(21-9-4-2)6-7-13(12)17(19)20/h6-7,10H,3-5,8-9H2,1-2H3,(H2,15,16,18)