N-[3-[[2-[(4-cyanophenyl)methylsulfanyl]ethanoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[2-[(4-cyanophenyl)methylsulfanyl]ethanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[2-[(4-cyanophenyl)methylthio]-1-oxoethyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[[2-[(4-cyanobenzyl)thio]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O2S/c22-11-15-4-6-16(7-5-15)13-27-14-20(25)23-12-17-2-1-3-19(10-17)24-21(26)18-8-9-18/h1-7,10,18H,8-9,12-14H2,(H,23,25)(H,24,26)