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

Systemtic Name: 2-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]-3-methoxy-phenyl]ethanal Openeye Name: 2-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]-3-methoxy-phenyl]acetaldehyde CAS Name: 2-[4-[3-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]propoxy]-3-methoxyphenyl]acetaldehyde IUPAC Name: 2-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]-3-methoxyphenyl]acetaldehyde Traditional Name: 2-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazino]propoxy]-3-methoxy-phenyl]acetaldehyde Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=O)OCCCN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC(=C1)CC=O)OCCCN2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O3S/c1-28-21-17-18(9-15-27)7-8-20(21)29-16-4-10-25-11-13-26(14-12-25)23-19-5-2-3-6-22(19)30-24-23/h2-3,5-8,15,17H,4,9-14,16H2,1H3