6-chloranyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one

Systemtic Name: 6-chloranyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one Openeye Name: 6-chloro-3-[4-[(E)-cinnamyl]piperazin-1-yl]thiochromen-4-one CAS Name: 6-chloro-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-benzothiopyran-4-one IUPAC Name: 6-chloro-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one Traditional Name: 6-chloro-3-[4-[(E)-cinnamyl]piperazino]thiochromen-4-one Formula: C22H21ClN2OS MolecularWeight: 396.93294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN2OS/c23-18-8-9-21-19(15-18)22(26)20(16-27-21)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15-16H,10-14H2/b7-4+