1-(4-ethanoylphenyl)-3-(2-methyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-(2-methyl-5-nitro-phenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-(2-methyl-5-nitro-phenyl)thiourea CAS Name: 1-(4-acetylphenyl)-3-(2-methyl-5-nitrophenyl)thiourea IUPAC Name: 1-(4-acetylphenyl)-3-(2-methyl-5-nitrophenyl)thiourea Traditional Name: 1-(4-acetylphenyl)-3-(2-methyl-5-nitro-phenyl)thiourea Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-10-3-8-14(19(21)22)9-15(10)18-16(23)17-13-6-4-12(5-7-13)11(2)20/h3-9H,1-2H3,(H2,17,18,23)