3-bromanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 3-bromanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-bromo-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 3-bromo-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-bromo-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-bromo-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C23H20BrN3OS MolecularWeight: 466.3934

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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=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3OS/c1-15(2)19-9-4-10-20-21(19)26-23(29-20)27(14-16-6-5-11-25-13-16)22(28)17-7-3-8-18(24)12-17/h3-13,15H,14H2,1-2H3