1-[4-(1-adamantylsulfamoyl)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-homoveratryl-thiourea Formula: C27H35N3O4S2 MolecularWeight: 529.7145

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C27H35N3O4S2/c1-33-24-8-3-18(14-25(24)34-2)9-10-28-26(35)29-22-4-6-23(7-5-22)36(31,32)30-27-15-19-11-20(16-27)13-21(12-19)17-27/h3-8,14,19-21,30H,9-13,15-17H2,1-2H3,(H2,28,29,35)