N-[3-[[2-(4-acetamidophenyl)sulfanylethanoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[2-(4-acetamidophenyl)sulfanylethanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[[2-(4-acetamidophenyl)sulfanylacetyl]amino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[2-[(4-acetamidophenyl)thio]-1-oxoethyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[[2-(4-acetamidophenyl)sulfanylacetyl]amino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[[2-[(4-acetamidophenyl)thio]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NCC2=CC(=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NCC2=CC(=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H23N3O3S/c1-14(25)23-17-7-9-19(10-8-17)28-13-20(26)22-12-15-3-2-4-18(11-15)24-21(27)16-5-6-16/h2-4,7-11,16H,5-6,12-13H2,1H3,(H,22,26)(H,23,25)(H,24,27)