1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea

Systemtic Name: 1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea Openeye Name: 1-(2-benzylsulfanylethyl)-3-(4-chloro-2,5-dimethoxy-phenyl)thiourea CAS Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(phenylmethylthio)ethyl]thiourea IUPAC Name: 1-(2-benzylsulfanylethyl)-3-(4-chloro-2,5-dimethoxyphenyl)thiourea Traditional Name: 1-[2-(benzylthio)ethyl]-3-(4-chloro-2,5-dimethoxy-phenyl)thiourea Formula: C18H21ClN2O2S2 MolecularWeight: 396.95454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NCCSCC2=CC=CC=C2)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NCCSCC2=CC=CC=C2)OC)Cl

InChI

InChI=1S/C18H21ClN2O2S2/c1-22-16-11-15(17(23-2)10-14(16)19)21-18(24)20-8-9-25-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H2,20,21,24)