1-(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-7-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-7-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(6-methoxy-1,1,4,4-tetramethyl-isochroman-7-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(6-methoxy-1,1,4,4-tetramethyl-3,4-dihydro-1H-2-benzopyran-7-yl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-7-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(6-methoxy-1,1,4,4-tetramethyl-isochroman-7-yl)-3-(4-nitrophenyl)thiourea Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(C2=CC(=C(C=C21)OC)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])(C)C)C

Isomeric SMILES

CC1(COC(C2=CC(=C(C=C21)OC)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])(C)C)C

InChI

InChI=1S/C21H25N3O4S/c1-20(2)12-28-21(3,4)16-10-17(18(27-5)11-15(16)20)23-19(29)22-13-6-8-14(9-7-13)24(25)26/h6-11H,12H2,1-5H3,(H2,22,23,29)