N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzofuran-2-carboxamide CAS Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)coumarilamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H21N3O2S/c1-16(2)19-9-5-11-22-23(19)27-25(31-22)28(15-17-7-6-12-26-14-17)24(29)21-13-18-8-3-4-10-20(18)30-21/h3-14,16H,15H2,1-2H3