1-[[2-[(3,5-dimethylphenyl)amino]-4-nitro-phenyl]carbonylamino]thiourea

Systemtic Name: 1-[[2-[(3,5-dimethylphenyl)amino]-4-nitro-phenyl]carbonylamino]thiourea Openeye Name: [[2-(3,5-dimethylanilino)-4-nitro-benzoyl]amino]thiourea CAS Name: [[[2-(3,5-dimethylanilino)-4-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: [[2-(3,5-dimethylanilino)-4-nitrobenzoyl]amino]thiourea Traditional Name: [[2-(3,5-dimethylanilino)-4-nitro-benzoyl]amino]thiourea Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3S/c1-9-5-10(2)7-11(6-9)18-14-8-12(21(23)24)3-4-13(14)15(22)19-20-16(17)25/h3-8,18H,1-2H3,(H,19,22)(H3,17,20,25)