1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea

Systemtic Name: 1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea Openeye Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea CAS Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea IUPAC Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea Traditional Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-(4-mesylbenzyl)thiourea Formula: C17H19ClN2O4S2 MolecularWeight: 414.92676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)C)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)C)OC)Cl

InChI

InChI=1S/C17H19ClN2O4S2/c1-23-15-9-14(16(24-2)8-13(15)18)20-17(25)19-10-11-4-6-12(7-5-11)26(3,21)22/h4-9H,10H2,1-3H3,(H2,19,20,25)