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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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