2-[(4-cyanophenyl)methylsulfanyl]-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[3-[(cyclopropylamino)-oxomethyl]phenyl]benzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H21N3O2S/c26-15-17-8-10-18(11-9-17)16-31-23-7-2-1-6-22(23)25(30)28-21-5-3-4-19(14-21)24(29)27-20-12-13-20/h1-11,14,20H,12-13,16H2,(H,27,29)(H,28,30)