4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butoxy]-3-methoxy-benzaldehyde

Systemtic Name: 4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butoxy]-3-methoxy-benzaldehyde Openeye Name: 4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butoxy]-3-methoxy-benzaldehyde CAS Name: 4-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butoxy]-3-methoxybenzaldehyde IUPAC Name: 4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butoxy]-3-methoxybenzaldehyde Traditional Name: 4-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butoxy]-3-methoxy-benzaldehyde Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

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