1-(3,5-dimethylphenyl)-3-[2-[(4-nitrophenyl)amino]ethyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[2-[(4-nitrophenyl)amino]ethyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[2-(4-nitroanilino)ethyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[2-(4-nitroanilino)ethyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[2-(4-nitroanilino)ethyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[2-(4-nitroanilino)ethyl]thiourea Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H20N4O2S/c1-12-9-13(2)11-15(10-12)20-17(24)19-8-7-18-14-3-5-16(6-4-14)21(22)23/h3-6,9-11,18H,7-8H2,1-2H3,(H2,19,20,24)