N-[6-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]pyridin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-[2-(4-chlorophenoxy)-1-oxoethyl]-1-piperazinyl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazino]-3-pyridyl]thiophene-2-carboxamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O3S/c23-16-3-6-18(7-4-16)30-15-21(28)27-11-9-26(10-12-27)20-8-5-17(14-24-20)25-22(29)19-2-1-13-31-19/h1-8,13-14H,9-12,15H2,(H,25,29)