2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4,5-dimethoxy-aniline

Systemtic Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4,5-dimethoxy-aniline Openeye Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4,5-dimethoxy-aniline CAS Name: 2-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]-4,5-dimethoxyaniline IUPAC Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4,5-dimethoxyaniline Traditional Name: [2-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]-4,5-dimethoxy-phenyl]amine Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)N)OC

InChI

InChI=1S/C21H26N4O2S/c1-26-18-13-15(17(22)14-19(18)27-2)7-8-24-9-11-25(12-10-24)21-16-5-3-4-6-20(16)28-23-21/h3-6,13-14H,7-12,22H2,1-2H3