1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[2-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]thiourea

Systemtic Name: 1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[2-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]thiourea Openeye Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[2-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]thiourea CAS Name: 1-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]thiourea Traditional Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[2-(2,5-dimethoxyphenyl)ethylthiocarbamoylamino]thiourea Formula: C20H25ClN4O4S2 MolecularWeight: 485.0199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC(=S)NNC(=S)NC2=CC(=C(C=C2OC)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)NNC(=S)NC2=CC(=C(C=C2OC)Cl)OC

InChI

InChI=1S/C20H25ClN4O4S2/c1-26-13-5-6-16(27-2)12(9-13)7-8-22-19(30)24-25-20(31)23-15-11-17(28-3)14(21)10-18(15)29-4/h5-6,9-11H,7-8H2,1-4H3,(H2,22,24,30)(H2,23,25,31)