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

Systemtic Name: 1-[2-(2,5-dimethoxy-4-nitro-phenyl)sulfanylethanoylamino]-3-(2,4-dimethylphenyl)thiourea Openeye Name: 1-[[2-(2,5-dimethoxy-4-nitro-phenyl)sulfanylacetyl]amino]-3-(2,4-dimethylphenyl)thiourea CAS Name: 1-[[2-[(2,5-dimethoxy-4-nitrophenyl)thio]-1-oxoethyl]amino]-3-(2,4-dimethylphenyl)thiourea IUPAC Name: 1-[[2-(2,5-dimethoxy-4-nitrophenyl)sulfanylacetyl]amino]-3-(2,4-dimethylphenyl)thiourea Traditional Name: 1-[[2-[(2,5-dimethoxy-4-nitro-phenyl)thio]acetyl]amino]-3-(2,4-dimethylphenyl)thiourea Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NNC(=O)CSC2=C(C=C(C(=C2)OC)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NNC(=O)CSC2=C(C=C(C(=C2)OC)[N+](=O)[O-])OC)C

InChI

InChI=1S/C19H22N4O5S2/c1-11-5-6-13(12(2)7-11)20-19(29)22-21-18(24)10-30-17-9-15(27-3)14(23(25)26)8-16(17)28-4/h5-9H,10H2,1-4H3,(H,21,24)(H2,20,22,29)