N-[(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-5-yl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-5-yl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(6-methoxy-1,1,4,4-tetramethyl-isochroman-5-yl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[(6-methoxy-1,1,4,4-tetramethyl-3,4-dihydro-1H-2-benzopyran-5-yl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-5-yl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(6-methoxy-1,1,4,4-tetramethyl-isochroman-5-yl)thiocarbamoyl]-4-nitro-benzamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(C2=C1C(=C(C=C2)OC)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C)C)C

Isomeric SMILES

CC1(COC(C2=C1C(=C(C=C2)OC)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C)C)C

InChI

InChI=1S/C22H25N3O5S/c1-21(2)12-30-22(3,4)15-10-11-16(29-5)18(17(15)21)23-20(31)24-19(26)13-6-8-14(9-7-13)25(27)28/h6-11H,12H2,1-5H3,(H2,23,24,26,31)