1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]thiourea Traditional Name: 1-homoveratryl-3-(4-sulfamoylbenzyl)thiourea Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)OC

InChI

InChI=1S/C18H23N3O4S2/c1-24-16-8-5-13(11-17(16)25-2)9-10-20-18(26)21-12-14-3-6-15(7-4-14)27(19,22)23/h3-8,11H,9-10,12H2,1-2H3,(H2,19,22,23)(H2,20,21,26)