2-chloranyl-N-[3-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 2-chloranyl-N-[3-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-oxidanylidene-propyl]benzamide Openeye Name: 2-chloro-N-[3-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-oxo-propyl]benzamide CAS Name: 2-chloro-N-[3-[2-[(2-cyanophenyl)methylthio]ethylamino]-3-oxopropyl]benzamide IUPAC Name: 2-chloro-N-[3-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-oxopropyl]benzamide Traditional Name: 2-chloro-N-[3-[2-[(2-cyanobenzyl)thio]ethylamino]-3-keto-propyl]benzamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CCNC(=O)C2=CC=CC=C2Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CCNC(=O)C2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C20H20ClN3O2S/c21-18-8-4-3-7-17(18)20(26)24-10-9-19(25)23-11-12-27-14-16-6-2-1-5-15(16)13-22/h1-8H,9-12,14H2,(H,23,25)(H,24,26)