3-(3-methoxyphenyl)-3-[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)amino]propan-1-ol

Systemtic Name: 3-(3-methoxyphenyl)-3-[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)amino]propan-1-ol Openeye Name: 3-(3-methoxyphenyl)-3-[[6-(4-pyridyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol CAS Name: 3-(3-methoxyphenyl)-3-[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)amino]-1-propanol IUPAC Name: 3-(3-methoxyphenyl)-3-[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)amino]propan-1-ol Traditional Name: 3-(3-methoxyphenyl)-3-[[6-(4-pyridyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CCO)NC2=NC3=C(S2)C=C(C=C3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(CCO)NC2=NC3=C(S2)C=C(C=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H21N3O2S/c1-27-18-4-2-3-17(13-18)19(9-12-26)24-22-25-20-6-5-16(14-21(20)28-22)15-7-10-23-11-8-15/h2-8,10-11,13-14,19,26H,9,12H2,1H3,(H,24,25)