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

Systemtic Name: 1-[2-(2,5-dimethoxy-4-nitro-phenyl)sulfanylethanoylamino]-3-(4-methylphenyl)thiourea Openeye Name: 1-[[2-(2,5-dimethoxy-4-nitro-phenyl)sulfanylacetyl]amino]-3-(p-tolyl)thiourea CAS Name: 1-[[2-[(2,5-dimethoxy-4-nitrophenyl)thio]-1-oxoethyl]amino]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[[2-(2,5-dimethoxy-4-nitrophenyl)sulfanylacetyl]amino]-3-(4-methylphenyl)thiourea Traditional Name: 1-[[2-[(2,5-dimethoxy-4-nitro-phenyl)thio]acetyl]amino]-3-(p-tolyl)thiourea Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S2/c1-11-4-6-12(7-5-11)19-18(28)21-20-17(23)10-29-16-9-14(26-2)13(22(24)25)8-15(16)27-3/h4-9H,10H2,1-3H3,(H,20,23)(H2,19,21,28)