3-(2-chloranyl-4,6-dimethyl-phenyl)-1-[3-(3,4-dimethoxyphenyl)propyl]-1-methyl-thiourea

Systemtic Name: 3-(2-chloranyl-4,6-dimethyl-phenyl)-1-[3-(3,4-dimethoxyphenyl)propyl]-1-methyl-thiourea Openeye Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-[3-(3,4-dimethoxyphenyl)propyl]-1-methyl-thiourea CAS Name: 3-(2-chloro-4,6-dimethylphenyl)-1-[3-(3,4-dimethoxyphenyl)propyl]-1-methylthiourea IUPAC Name: 3-(2-chloro-4,6-dimethylphenyl)-1-[3-(3,4-dimethoxyphenyl)propyl]-1-methylthiourea Traditional Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-[3-(3,4-dimethoxyphenyl)propyl]-1-methyl-thiourea Formula: C21H27ClN2O2S MolecularWeight: 406.96928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N(C)CCCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N(C)CCCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H27ClN2O2S/c1-14-11-15(2)20(17(22)12-14)23-21(27)24(3)10-6-7-16-8-9-18(25-4)19(13-16)26-5/h8-9,11-13H,6-7,10H2,1-5H3,(H,23,27)