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

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[2-(2,5-dimethoxy-4-nitro-phenyl)sulfanylethanoylamino]thiourea Openeye Name: 1-(3,4-dichlorophenyl)-3-[[2-(2,5-dimethoxy-4-nitro-phenyl)sulfanylacetyl]amino]thiourea CAS Name: 1-(3,4-dichlorophenyl)-3-[[2-[(2,5-dimethoxy-4-nitrophenyl)thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(3,4-dichlorophenyl)-3-[[2-(2,5-dimethoxy-4-nitrophenyl)sulfanylacetyl]amino]thiourea Traditional Name: 1-(3,4-dichlorophenyl)-3-[[2-[(2,5-dimethoxy-4-nitro-phenyl)thio]acetyl]amino]thiourea Formula: C17H16Cl2N4O5S2 MolecularWeight: 491.36874

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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(=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2N4O5S2/c1-27-13-7-15(14(28-2)6-12(13)23(25)26)30-8-16(24)21-22-17(29)20-9-3-4-10(18)11(19)5-9/h3-7H,8H2,1-2H3,(H,21,24)(H2,20,22,29)