[5-tert-butyl-1-(pyridin-3-ylmethyl)indol-2-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone

Systemtic Name: [5-tert-butyl-1-(pyridin-3-ylmethyl)indol-2-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone Openeye Name: [5-tert-butyl-1-(3-pyridylmethyl)indol-2-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone CAS Name: [5-tert-butyl-1-(3-pyridinylmethyl)-2-indolyl]-(2-methyl-1,3-benzothiazol-5-yl)methanone IUPAC Name: [5-tert-butyl-1-(pyridin-3-ylmethyl)indol-2-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone Traditional Name: [5-tert-butyl-1-(3-pyridylmethyl)indol-2-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone Formula: C27H25N3OS MolecularWeight: 439.5719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)C(=O)C3=CC4=C(N3CC5=CN=CC=C5)C=CC(=C4)C(C)(C)C

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)C(=O)C3=CC4=C(N3CC5=CN=CC=C5)C=CC(=C4)C(C)(C)C

InChI

InChI=1S/C27H25N3OS/c1-17-29-22-13-19(7-10-25(22)32-17)26(31)24-14-20-12-21(27(2,3)4)8-9-23(20)30(24)16-18-6-5-11-28-15-18/h5-15H,16H2,1-4H3