1-(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-7-yl)-3-(4-nitrophenyl)-1-propan-2-yl-thiourea

Systemtic Name: 1-(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-7-yl)-3-(4-nitrophenyl)-1-propan-2-yl-thiourea Openeye Name: 1-isopropyl-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)-1-propan-2-ylthiourea IUPAC Name: 1-(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-7-yl)-3-(4-nitrophenyl)-1-propan-2-ylthiourea Traditional Name: 1-isopropyl-1-(6-methoxy-1,1,4,4-tetramethyl-isochroman-7-yl)-3-(4-nitrophenyl)thiourea Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(C=C2C(=C1)C(OCC2(C)C)(C)C)OC)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C1=C(C=C2C(=C1)C(OCC2(C)C)(C)C)OC)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O4S/c1-15(2)26(22(32)25-16-8-10-17(11-9-16)27(28)29)20-12-19-18(13-21(20)30-7)23(3,4)14-31-24(19,5)6/h8-13,15H,14H2,1-7H3,(H,25,32)