N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-4-keto-4-(2-thienyl)butyramide Formula: C18H18ClN3O3S MolecularWeight: 391.87182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)CCC(=O)C3=CC=CS3)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)CCC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C18H18ClN3O3S/c19-13-10-12(3-4-14(13)22-8-7-20-18(25)11-22)21-17(24)6-5-15(23)16-2-1-9-26-16/h1-4,9-10H,5-8,11H2,(H,20,25)(H,21,24)