N-[3-[[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-chloro-4-(3-oxo-1-piperazinyl)anilino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[3-chloro-4-(3-ketopiperazino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C22H19ClN4O3S/c23-17-12-16(6-7-18(17)27-9-8-24-20(28)13-27)25-21(29)14-3-1-4-15(11-14)26-22(30)19-5-2-10-31-19/h1-7,10-12H,8-9,13H2,(H,24,28)(H,25,29)(H,26,30)