N-[2-[(4-cyanophenyl)methylsulfanyl]phenyl]-4-(dipropylsulfamoyl)benzamide

Systemtic Name: N-[2-[(4-cyanophenyl)methylsulfanyl]phenyl]-4-(dipropylsulfamoyl)benzamide Openeye Name: N-[2-[(4-cyanophenyl)methylsulfanyl]phenyl]-4-(dipropylsulfamoyl)benzamide CAS Name: N-[2-[(4-cyanophenyl)methylthio]phenyl]-4-(dipropylsulfamoyl)benzamide IUPAC Name: N-[2-[(4-cyanophenyl)methylsulfanyl]phenyl]-4-(dipropylsulfamoyl)benzamide Traditional Name: N-[2-[(4-cyanobenzyl)thio]phenyl]-4-(dipropylsulfamoyl)benzamide Formula: C27H29N3O3S2 MolecularWeight: 507.66746

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H29N3O3S2/c1-3-17-30(18-4-2)35(32,33)24-15-13-23(14-16-24)27(31)29-25-7-5-6-8-26(25)34-20-22-11-9-21(19-28)10-12-22/h5-16H,3-4,17-18,20H2,1-2H3,(H,29,31)