N-[3-[[2-(phenylmethylsulfanyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[2-(phenylmethylsulfanyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[(2-benzylsulfanylethylcarbamoylamino)methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[oxo-[2-(phenylmethylthio)ethylamino]methyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[(2-benzylsulfanylethylcarbamoylamino)methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[2-(benzylthio)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c25-20(18-9-10-18)24-19-8-4-7-17(13-19)14-23-21(26)22-11-12-27-15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,24,25)(H2,22,23,26)