1-methyl-3-[(3-nitrophenyl)carbonylamino]thiourea

Systemtic Name: 1-methyl-3-[(3-nitrophenyl)carbonylamino]thiourea Openeye Name: 1-methyl-3-[(3-nitrobenzoyl)amino]thiourea CAS Name: 1-methyl-3-[[(3-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-methyl-3-[(3-nitrobenzoyl)amino]thiourea Traditional Name: 1-methyl-3-[(3-nitrobenzoyl)amino]thiourea Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H10N4O3S/c1-10-9(17)12-11-8(14)6-3-2-4-7(5-6)13(15)16/h2-5H,1H3,(H,11,14)(H2,10,12,17)