N-[2-[4-methoxy-3-(propan-2-ylcarbamothioylsulfamoyl)phenyl]ethyl]cyclohexene-1-carboxamide

Systemtic Name: N-[2-[4-methoxy-3-(propan-2-ylcarbamothioylsulfamoyl)phenyl]ethyl]cyclohexene-1-carboxamide Openeye Name: N-[2-[3-(isopropylcarbamothioylsulfamoyl)-4-methoxy-phenyl]ethyl]cyclohexene-1-carboxamide CAS Name: N-[2-[4-methoxy-3-[[(propan-2-ylamino)-sulfanylidenemethyl]sulfamoyl]phenyl]ethyl]-1-cyclohexenecarboxamide IUPAC Name: N-[2-[4-methoxy-3-(propan-2-ylcarbamothioylsulfamoyl)phenyl]ethyl]cyclohexene-1-carboxamide Traditional Name: N-[2-[3-(isopropylthiocarbamoylsulfamoyl)-4-methoxy-phenyl]ethyl]cyclohexene-1-carboxamide Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=CCCCC2)OC

Isomeric SMILES

CC(C)NC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=CCCCC2)OC

InChI

InChI=1S/C20H29N3O4S2/c1-14(2)22-20(28)23-29(25,26)18-13-15(9-10-17(18)27-3)11-12-21-19(24)16-7-5-4-6-8-16/h7,9-10,13-14H,4-6,8,11-12H2,1-3H3,(H,21,24)(H2,22,23,28)