N-(3-phenylsulfanylpropyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Systemtic Name: N-(3-phenylsulfanylpropyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: 4-[(isopropylcarbamoylamino)methyl]-N-(3-phenylsulfanylpropyl)benzamide CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]-N-[3-(phenylthio)propyl]benzamide IUPAC Name: N-(3-phenylsulfanylpropyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: 4-[(isopropylcarbamoylamino)methyl]-N-[3-(phenylthio)propyl]benzamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2S/c1-16(2)24-21(26)23-15-17-9-11-18(12-10-17)20(25)22-13-6-14-27-19-7-4-3-5-8-19/h3-5,7-12,16H,6,13-15H2,1-2H3,(H,22,25)(H2,23,24,26)