N-[(4-nitrophenyl)amino]-N-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)methanethioamide

Systemtic Name: N-[(4-nitrophenyl)amino]-N-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)methanethioamide Openeye Name: N-(4-nitroanilino)-N-(2,2,4,4-tetramethylthiochroman-6-yl)thioformamide CAS Name: N-(4-nitroanilino)-N-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)methanethioamide IUPAC Name: N-(4-nitroanilino)-N-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)methanethioamide Traditional Name: N-(4-nitroanilino)-N-(2,2,4,4-tetramethylthiochroman-6-yl)thioformamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=C(C=C2)N(C=S)NC3=CC=C(C=C3)[N+](=O)[O-])(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=C(C=C2)N(C=S)NC3=CC=C(C=C3)[N+](=O)[O-])(C)C)C

InChI

InChI=1S/C20H23N3O2S2/c1-19(2)12-20(3,4)27-18-10-9-16(11-17(18)19)22(13-26)21-14-5-7-15(8-6-14)23(24)25/h5-11,13,21H,12H2,1-4H3