N-[2-chloranyl-5-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[oxo-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-[[6-(3-ketopiperazino)-3-pyridyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O3S/c22-15-5-3-13(10-16(15)26-21(30)17-2-1-9-31-17)20(29)25-14-4-6-18(24-11-14)27-8-7-23-19(28)12-27/h1-6,9-11H,7-8,12H2,(H,23,28)(H,25,29)(H,26,30)