1-(2,6-dimethylphenyl)-3-(2-methyl-4-nitro-phenyl)thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-(2-methyl-4-nitro-phenyl)thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-(2-methyl-4-nitro-phenyl)thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-(2-methyl-4-nitrophenyl)thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-(2-methyl-4-nitrophenyl)thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-(2-methyl-4-nitro-phenyl)thiourea Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N3O2S/c1-10-5-4-6-11(2)15(10)18-16(22)17-14-8-7-13(19(20)21)9-12(14)3/h4-9H,1-3H3,(H2,17,18,22)