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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-[(isopropylcarbamoylamino)methyl]benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-[(isopropylcarbamoylamino)methyl]benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C22H26N4O2S/c1-16(2)26-22(28)25-14-17-7-9-18(10-8-17)21(27)24-11-12-29-15-20-6-4-3-5-19(20)13-23/h3-10,16H,11-12,14-15H2,1-2H3,(H,24,27)(H2,25,26,28)