1-(4,5-dimethyl-2-nitro-phenyl)-3-phenethyl-thiourea

Systemtic Name: 1-(4,5-dimethyl-2-nitro-phenyl)-3-phenethyl-thiourea Openeye Name: 1-(4,5-dimethyl-2-nitro-phenyl)-3-phenethyl-thiourea CAS Name: 1-(4,5-dimethyl-2-nitrophenyl)-3-phenethylthiourea IUPAC Name: 1-(4,5-dimethyl-2-nitrophenyl)-3-phenethylthiourea Traditional Name: 1-(4,5-dimethyl-2-nitro-phenyl)-3-phenethyl-thiourea Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C17H19N3O2S/c1-12-10-15(16(20(21)22)11-13(12)2)19-17(23)18-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H2,18,19,23)