4-tert-butyl-N-[2-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[(6-chlorothiochroman-4-yl)amino]-2-oxo-ethyl]benzamide CAS Name: 4-tert-butyl-N-[2-[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-2-oxoethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxoethyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[(6-chlorothiochroman-4-yl)amino]-2-keto-ethyl]benzamide Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NC2CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O2S/c1-22(2,3)15-6-4-14(5-7-15)21(27)24-13-20(26)25-18-10-11-28-19-9-8-16(23)12-17(18)19/h4-9,12,18H,10-11,13H2,1-3H3,(H,24,27)(H,25,26)