1-dodecyl-3-(2-methyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-dodecyl-3-(2-methyl-5-nitro-phenyl)thiourea Openeye Name: 1-dodecyl-3-(2-methyl-5-nitro-phenyl)thiourea CAS Name: 1-dodecyl-3-(2-methyl-5-nitrophenyl)thiourea IUPAC Name: 1-dodecyl-3-(2-methyl-5-nitrophenyl)thiourea Traditional Name: 1-lauryl-3-(2-methyl-5-nitro-phenyl)thiourea Formula: C20H33N3O2S MolecularWeight: 379.55992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])C

InChI

InChI=1S/C20H33N3O2S/c1-3-4-5-6-7-8-9-10-11-12-15-21-20(26)22-19-16-18(23(24)25)14-13-17(19)2/h13-14,16H,3-12,15H2,1-2H3,(H2,21,22,26)