1-methyl-3-[(4-nitrophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-methyl-3-[(4-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-methyl-3-[(4-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-methyl-3-[[(4-nitroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-methyl-3-[(4-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-methyl-3-[(4-nitrophenyl)thiocarbamoylamino]thiourea Formula: C9H11N5O2S2 MolecularWeight: 285.34594

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H11N5O2S2/c1-10-8(17)12-13-9(18)11-6-2-4-7(5-3-6)14(15)16/h2-5H,1H3,(H2,10,12,17)(H2,11,13,18)