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1-(2,3-dimethylphenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea
1-(2,3-dimethylphenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea
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Descriptors Computed from Structure
Canonical SMILES:
CC1=C(C(=CC=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C
Isomeric SMILES
CC1=C(C(=CC=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C
InChI
InChI=1S/C16H17N3O3S/c1-10-4-3-5-14(11(10)2)18-16(23)17-9-12-8-13(19(21)22)6-7-15(12)20/h3-8,20H,9H2,1-2H3,(H2,17,18,23)
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- 3-(3-hydroxyphenyl)propanoic acid
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