N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide

Systemtic Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide Openeye Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(3-pyridylmethylamino)methyl]benzamide CAS Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(3-pyridinylmethylamino)methyl]benzamide IUPAC Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide Traditional Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(3-pyridylmethylamino)methyl]benzamide Formula: C28H24N4O2S MolecularWeight: 480.58076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)C4=CC=C(C=C4)CNCC5=CN=CC=C5

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)C4=CC=C(C=C4)CNCC5=CN=CC=C5

InChI

InChI=1S/C28H24N4O2S/c1-34-24-14-13-23(21-7-3-2-4-8-21)26-25(24)31-28(35-26)32-27(33)22-11-9-19(10-12-22)16-30-18-20-6-5-15-29-17-20/h2-15,17,30H,16,18H2,1H3,(H,31,32,33)