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

Systemtic Name: 4-tert-butyl-N-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-thiochromen-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[3-(3,4-dimethoxyphenyl)-4-oxo-thiochromen-2-yl]benzamide CAS Name: 4-tert-butyl-N-[3-(3,4-dimethoxyphenyl)-4-oxo-1-benzothiopyran-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(3,4-dimethoxyphenyl)-4-oxothiochromen-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[3-(3,4-dimethoxyphenyl)-4-keto-thiochromen-2-yl]benzamide Formula: C28H27NO4S MolecularWeight: 473.58328

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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=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H27NO4S/c1-28(2,3)19-13-10-17(11-14-19)26(31)29-27-24(18-12-15-21(32-4)22(16-18)33-5)25(30)20-8-6-7-9-23(20)34-27/h6-16H,1-5H3,(H,29,31)