1-(2-methyl-5-nitro-phenyl)-3-phenethyl-thiourea

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-phenethyl-thiourea Openeye Name: 1-(2-methyl-5-nitro-phenyl)-3-phenethyl-thiourea CAS Name: 1-(2-methyl-5-nitrophenyl)-3-phenethylthiourea IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-phenethylthiourea Traditional Name: 1-(2-methyl-5-nitro-phenyl)-3-phenethyl-thiourea Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O2S/c1-12-7-8-14(19(20)21)11-15(12)18-16(22)17-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,17,18,22)