1-(2-methoxy-4-nitro-phenyl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea Openeye Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]thiourea IUPAC Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[[2-(benzylthio)acetyl]amino]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C17H18N4O4S2 MolecularWeight: 406.47922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C17H18N4O4S2/c1-25-15-9-13(21(23)24)7-8-14(15)18-17(26)20-19-16(22)11-27-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,22)(H2,18,20,26)