N-[2-(phenylmethylsulfanyl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-[(isopropylcarbamoylamino)methyl]benzamide CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-[(isopropylcarbamoylamino)methyl]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)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2

InChI

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