1-[[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethoxy]-3-methoxy-phenyl]methyl]-3-[(3,5-ditert-butylphenyl)methyl]thiourea

Systemtic Name: 1-[[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethoxy]-3-methoxy-phenyl]methyl]-3-[(3,5-ditert-butylphenyl)methyl]thiourea Openeye Name: 1-[(3,5-ditert-butylphenyl)methyl]-3-[[4-[2-(1,3-dioxoisoindolin-2-yl)ethoxy]-3-methoxy-phenyl]methyl]thiourea CAS Name: 1-[(3,5-ditert-butylphenyl)methyl]-3-[[4-[2-(1,3-dioxo-2-isoindolyl)ethoxy]-3-methoxyphenyl]methyl]thiourea IUPAC Name: 1-[(3,5-ditert-butylphenyl)methyl]-3-[[4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-methoxyphenyl]methyl]thiourea Traditional Name: 1-(3,5-ditert-butylbenzyl)-3-[3-methoxy-4-(2-phthalimidoethoxy)benzyl]thiourea Formula: C34H41N3O4S MolecularWeight: 587.77204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CNC(=S)NCC2=CC(=C(C=C2)OCCN3C(=O)C4=CC=CC=C4C3=O)OC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CNC(=S)NCC2=CC(=C(C=C2)OCCN3C(=O)C4=CC=CC=C4C3=O)OC)C(C)(C)C

InChI

InChI=1S/C34H41N3O4S/c1-33(2,3)24-16-23(17-25(19-24)34(4,5)6)21-36-32(42)35-20-22-12-13-28(29(18-22)40-7)41-15-14-37-30(38)26-10-8-9-11-27(26)31(37)39/h8-13,16-19H,14-15,20-21H2,1-7H3,(H2,35,36,42)