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

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[[(2-nitroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-[3-(methylthio)propyl]-3-[(2-nitrophenyl)thiocarbamoylamino]thiourea Formula: C12H17N5O2S3 MolecularWeight: 359.49068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O2S3/c1-22-8-4-7-13-11(20)15-16-12(21)14-9-5-2-3-6-10(9)17(18)19/h2-3,5-6H,4,7-8H2,1H3,(H2,13,15,20)(H2,14,16,21)