1-(3-methylsulfanylpropyl)-3-[2-(2-nitrophenoxy)ethanoylamino]thiourea

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-[2-(2-nitrophenoxy)ethanoylamino]thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-[[2-(2-nitrophenoxy)acetyl]amino]thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-[[2-(2-nitrophenoxy)acetyl]amino]thiourea Traditional Name: 1-[3-(methylthio)propyl]-3-[[2-(2-nitrophenoxy)acetyl]amino]thiourea Formula: C13H18N4O4S2 MolecularWeight: 358.43642

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NNC(=O)COC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CSCCCNC(=S)NNC(=O)COC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O4S2/c1-23-8-4-7-14-13(22)16-15-12(18)9-21-11-6-3-2-5-10(11)17(19)20/h2-3,5-6H,4,7-9H2,1H3,(H,15,18)(H2,14,16,22)