4-phenyl-1-[4-(5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-phenyl-1-[4-(5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-phenyl-1-[4-[5-(2-thienyl)-6H-1,3,4-thiadiazin-2-yl]piperazin-1-yl]butan-1-one CAS Name: 4-phenyl-1-[4-(5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-phenyl-1-[4-(5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-phenyl-1-[4-[5-(2-thienyl)-6H-1,3,4-thiadiazin-2-yl]piperazino]butan-1-one Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(CS2)C3=CC=CS3)C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NN=C(CS2)C3=CC=CS3)C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS2/c26-20(10-4-8-17-6-2-1-3-7-17)24-11-13-25(14-12-24)21-23-22-18(16-28-21)19-9-5-15-27-19/h1-3,5-7,9,15H,4,8,10-14,16H2