1-(3-chlorophenyl)-3-[2-(2,5-dimethoxy-4-nitro-phenyl)sulfanylethanoylamino]thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-[2-(2,5-dimethoxy-4-nitro-phenyl)sulfanylethanoylamino]thiourea Openeye Name: 1-(3-chlorophenyl)-3-[[2-(2,5-dimethoxy-4-nitro-phenyl)sulfanylacetyl]amino]thiourea CAS Name: 1-(3-chlorophenyl)-3-[[2-[(2,5-dimethoxy-4-nitrophenyl)thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[[2-(2,5-dimethoxy-4-nitrophenyl)sulfanylacetyl]amino]thiourea Traditional Name: 1-(3-chlorophenyl)-3-[[2-[(2,5-dimethoxy-4-nitro-phenyl)thio]acetyl]amino]thiourea Formula: C17H17ClN4O5S2 MolecularWeight: 456.92368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1[N+](=O)[O-])OC)SCC(=O)NNC(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

COC1=CC(=C(C=C1[N+](=O)[O-])OC)SCC(=O)NNC(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H17ClN4O5S2/c1-26-13-8-15(14(27-2)7-12(13)22(24)25)29-9-16(23)20-21-17(28)19-11-5-3-4-10(18)6-11/h3-8H,9H2,1-2H3,(H,20,23)(H2,19,21,28)