1-(2-ethyl-6-methyl-phenyl)-3-[2-(4-nitrophenyl)sulfanylethanoylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[2-(4-nitrophenyl)sulfanylethanoylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[2-[(4-nitrophenyl)thio]acetyl]amino]thiourea Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N4O3S2/c1-3-13-6-4-5-12(2)17(13)19-18(26)21-20-16(23)11-27-15-9-7-14(8-10-15)22(24)25/h4-10H,3,11H2,1-2H3,(H,20,23)(H2,19,21,26)