4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]butanamide

Systemtic Name: 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]butanamide Openeye Name: 4-(5-chloro-2-thienyl)-4-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]butanamide CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxo-N-[4-(3-oxo-1-piperazinyl)phenyl]butanamide IUPAC Name: 4-(5-chlorothiophen-2-yl)-4-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]butanamide Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-N-[4-(3-ketopiperazino)phenyl]butyramide Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

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