N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C20H20ClN3O4S/c21-15-9-13(1-3-16(15)24-6-5-22-19(25)11-24)23-20(26)12-29-14-2-4-17-18(10-14)28-8-7-27-17/h1-4,9-10H,5-8,11-12H2,(H,22,25)(H,23,26)