N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-thiochromen-2-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-thiochromen-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-thiochromen-2-yl]-4-tert-butyl-benzamide CAS Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-1-benzothiopyran-2-yl]-4-tert-butylbenzamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxothiochromen-2-yl]-4-tert-butylbenzamide Traditional Name: N-[3-(1,3-benzodioxol-5-yl)-4-keto-thiochromen-2-yl]-4-tert-butyl-benzamide Formula: C27H23NO4S MolecularWeight: 457.54082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23NO4S/c1-27(2,3)18-11-8-16(9-12-18)25(30)28-26-23(17-10-13-20-21(14-17)32-15-31-20)24(29)19-6-4-5-7-22(19)33-26/h4-14H,15H2,1-3H3,(H,28,30)