1-cyclododecyl-3-(4-methyl-2-nitro-phenyl)thiourea

Systemtic Name: 1-cyclododecyl-3-(4-methyl-2-nitro-phenyl)thiourea Openeye Name: 1-cyclododecyl-3-(4-methyl-2-nitro-phenyl)thiourea CAS Name: 1-cyclododecyl-3-(4-methyl-2-nitrophenyl)thiourea IUPAC Name: 1-cyclododecyl-3-(4-methyl-2-nitrophenyl)thiourea Traditional Name: 1-cyclododecyl-3-(4-methyl-2-nitro-phenyl)thiourea Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2CCCCCCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2CCCCCCCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H31N3O2S/c1-16-13-14-18(19(15-16)23(24)25)22-20(26)21-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-15,17H,2-12H2,1H3,(H2,21,22,26)