1-(4-nitrophenyl)-3-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)thiourea Openeye Name: 1-(4-nitrophenyl)-3-(2,2,4,4,7-pentamethylthiochroman-6-yl)thiourea CAS Name: 1-(4-nitrophenyl)-3-(2,2,4,4,7-pentamethyl-3H-1-benzothiopyran-6-yl)thiourea IUPAC Name: 1-(4-nitrophenyl)-3-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)thiourea Traditional Name: 1-(4-nitrophenyl)-3-(2,2,4,4,7-pentamethylthiochroman-6-yl)thiourea Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)SC(CC2(C)C)(C)C)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1)SC(CC2(C)C)(C)C)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O2S2/c1-13-10-18-16(20(2,3)12-21(4,5)28-18)11-17(13)23-19(27)22-14-6-8-15(9-7-14)24(25)26/h6-11H,12H2,1-5H3,(H2,22,23,27)