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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(2-thenoyl)piperazino]butan-1-one Formula: C20H21N3O2S3 MolecularWeight: 431.59464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S3/c24-18(8-4-14-27-20-21-15-5-1-2-6-16(15)28-20)22-9-11-23(12-10-22)19(25)17-7-3-13-26-17/h1-3,5-7,13H,4,8-12,14H2