1-(4-nitrophenyl)-3-(2,2,4,4-tetramethyl-3H-thiochromen-8-yl)thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-(2,2,4,4-tetramethyl-3H-thiochromen-8-yl)thiourea Openeye Name: 1-(4-nitrophenyl)-3-(2,2,4,4-tetramethylthiochroman-8-yl)thiourea CAS Name: 1-(4-nitrophenyl)-3-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-8-yl)thiourea IUPAC Name: 1-(4-nitrophenyl)-3-(2,2,4,4-tetramethyl-3H-thiochromen-8-yl)thiourea Traditional Name: 1-(4-nitrophenyl)-3-(2,2,4,4-tetramethylthiochroman-8-yl)thiourea Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=CC=C2NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=CC=C2NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])(C)C)C

InChI

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