4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-prop-2-enylsulfanylphenyl)benzamide

Systemtic Name: 4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-prop-2-enylsulfanylphenyl)benzamide Openeye Name: N-(2-allylsulfanylphenyl)-4-[(isopropylcarbamoylamino)methyl]benzamide CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]-N-[2-(prop-2-enylthio)phenyl]benzamide IUPAC Name: 4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-prop-2-enylsulfanylphenyl)benzamide Traditional Name: N-[2-(allylthio)phenyl]-4-[(isopropylcarbamoylamino)methyl]benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCC=C

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCC=C

InChI

InChI=1S/C21H25N3O2S/c1-4-13-27-19-8-6-5-7-18(19)24-20(25)17-11-9-16(10-12-17)14-22-21(26)23-15(2)3/h4-12,15H,1,13-14H2,2-3H3,(H,24,25)(H2,22,23,26)