2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]carbothioyl-2-methoxy-phenoxy]ethanamide

Systemtic Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]carbothioyl-2-methoxy-phenoxy]ethanamide Openeye Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioyl]-2-methoxy-phenoxy]acetamide CAS Name: 2-[4-[[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-sulfanylidenemethyl]-2-methoxyphenoxy]acetamide IUPAC Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioyl]-2-methoxyphenoxy]acetamide Traditional Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioyl]-2-methoxy-phenoxy]acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43)OCC(=O)N

InChI

InChI=1S/C21H22N4O3S2/c1-27-17-12-14(6-7-16(17)28-13-19(22)26)21(29)25-10-8-24(9-11-25)20-15-4-2-3-5-18(15)30-23-20/h2-7,12H,8-11,13H2,1H3,(H2,22,26)