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

Systemtic Name: 1-butyl-3-[(4-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-butyl-3-[(4-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-butyl-3-[[(4-nitroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-butyl-3-[(4-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-butyl-3-[(4-nitrophenyl)thiocarbamoylamino]thiourea Formula: C12H17N5O2S2 MolecularWeight: 327.42568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O2S2/c1-2-3-8-13-11(20)15-16-12(21)14-9-4-6-10(7-5-9)17(18)19/h4-7H,2-3,8H2,1H3,(H2,13,15,20)(H2,14,16,21)