N-[2-chloranyl-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-[4-(2-pyridylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[oxo-[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-[4-(2-pyridylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H21ClN4O2S/c23-18-7-6-16(14-19(18)25-21(28)20-5-3-13-30-20)22(29)27-11-9-26(10-12-27)15-17-4-1-2-8-24-17/h1-8,13-14H,9-12,15H2,(H,25,28)