2-[2-[5-[cyclohexyl(methyl)amino]pentoxy]-5-methoxy-phenyl]-2H-1,3-benzothiazole-3-carbaldehyde

Systemtic Name: 2-[2-[5-[cyclohexyl(methyl)amino]pentoxy]-5-methoxy-phenyl]-2H-1,3-benzothiazole-3-carbaldehyde Openeye Name: 2-[2-[5-[cyclohexyl(methyl)amino]pentoxy]-5-methoxy-phenyl]-2H-1,3-benzothiazole-3-carbaldehyde CAS Name: 2-[2-[5-[cyclohexyl(methyl)amino]pentoxy]-5-methoxyphenyl]-2H-1,3-benzothiazole-3-carboxaldehyde IUPAC Name: 2-[2-[5-[cyclohexyl(methyl)amino]pentoxy]-5-methoxyphenyl]-2H-1,3-benzothiazole-3-carbaldehyde Traditional Name: 2-[2-[5-[cyclohexyl(methyl)amino]pentoxy]-5-methoxy-phenyl]-2H-1,3-benzothiazole-3-carbaldehyde Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCOC1=C(C=C(C=C1)OC)C2N(C3=CC=CC=C3S2)C=O)C4CCCCC4

Isomeric SMILES

CN(CCCCCOC1=C(C=C(C=C1)OC)C2N(C3=CC=CC=C3S2)C=O)C4CCCCC4

InChI

InChI=1S/C27H36N2O3S/c1-28(21-11-5-3-6-12-21)17-9-4-10-18-32-25-16-15-22(31-2)19-23(25)27-29(20-30)24-13-7-8-14-26(24)33-27/h7-8,13-16,19-21,27H,3-6,9-12,17-18H2,1-2H3