3-(4-nitrophenyl)-1-propan-2-yl-1-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)thiourea

Systemtic Name: 3-(4-nitrophenyl)-1-propan-2-yl-1-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)thiourea Openeye Name: 1-isopropyl-3-(4-nitrophenyl)-1-(2,2,4,4-tetramethylthiochroman-6-yl)thiourea CAS Name: 3-(4-nitrophenyl)-1-propan-2-yl-1-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)thiourea IUPAC Name: 3-(4-nitrophenyl)-1-propan-2-yl-1-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)thiourea Traditional Name: 1-isopropyl-3-(4-nitrophenyl)-1-(2,2,4,4-tetramethylthiochroman-6-yl)thiourea Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S2/c1-15(2)25(21(29)24-16-7-9-17(10-8-16)26(27)28)18-11-12-20-19(13-18)22(3,4)14-23(5,6)30-20/h7-13,15H,14H2,1-6H3,(H,24,29)