2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]-3-methoxy-phenyl]ethanal

Systemtic Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]-3-methoxy-phenyl]ethanal Openeye Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]-3-methoxy-phenyl]acetaldehyde CAS Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethoxy]-3-methoxyphenyl]acetaldehyde IUPAC Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]-3-methoxyphenyl]acetaldehyde Traditional Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethoxy]-3-methoxy-phenyl]acetaldehyde Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=O)OCCN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC(=C1)CC=O)OCCN2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O3S/c1-27-20-16-17(8-14-26)6-7-19(20)28-15-13-24-9-11-25(12-10-24)22-18-4-2-3-5-21(18)29-23-22/h2-7,14,16H,8-13,15H2,1H3