N-[4-(cyanomethyl)phenyl]-N-propan-2-ylsulfonyl-3-(thiophen-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-N-propan-2-ylsulfonyl-3-(thiophen-2-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-N-isopropylsulfonyl-3-(2-thienylsulfanylmethyl)benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-N-propan-2-ylsulfonyl-3-[(thiophen-2-ylthio)methyl]benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-N-propan-2-ylsulfonyl-3-(thiophen-2-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-N-isopropylsulfonyl-3-[(2-thienylthio)methyl]benzamide Formula: C23H22N2O3S3 MolecularWeight: 470.62738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2=CC(=CC=C2)CSC3=CC=CS3

Isomeric SMILES

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2=CC(=CC=C2)CSC3=CC=CS3

InChI

InChI=1S/C23H22N2O3S3/c1-17(2)31(27,28)25(21-10-8-18(9-11-21)12-13-24)23(26)20-6-3-5-19(15-20)16-30-22-7-4-14-29-22/h3-11,14-15,17H,12,16H2,1-2H3