2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methylsulfanyl-1,3-benzothiazole

Systemtic Name: 2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methylsulfanyl-1,3-benzothiazole Openeye Name: 2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methylsulfanyl-1,3-benzothiazole CAS Name: 2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(methylthio)-1,3-benzothiazole IUPAC Name: 2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methylsulfanyl-1,3-benzothiazole Traditional Name: 2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]-4-(methylthio)-1,3-benzothiazole Formula: C21H22N4OS3 MolecularWeight: 442.62058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C4=NC5=C(S4)C=CC=C5SC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C4=NC5=C(S4)C=CC=C5SC

InChI

InChI=1S/C21H22N4OS3/c1-3-26-14-6-4-8-16-18(14)22-20(28-16)24-10-12-25(13-11-24)21-23-19-15(27-2)7-5-9-17(19)29-21/h4-9H,3,10-13H2,1-2H3