4-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-(4-phenylpiperazino)butan-1-one Formula: C21H23N3OS2 MolecularWeight: 397.55682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS2/c25-20(24-14-12-23(13-15-24)17-7-2-1-3-8-17)11-6-16-26-21-22-18-9-4-5-10-19(18)27-21/h1-5,7-10H,6,11-16H2