1-(2-dimethylaminoethyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(2-dimethylaminoethyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-[[(2-nitroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(2-dimethylaminoethyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-[(2-nitrophenyl)thiocarbamoylamino]thiourea Formula: C12H18N6O2S2 MolecularWeight: 342.44032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N6O2S2/c1-17(2)8-7-13-11(21)15-16-12(22)14-9-5-3-4-6-10(9)18(19)20/h3-6H,7-8H2,1-2H3,(H2,13,15,21)(H2,14,16,22)