1,3-bis[4-(4-oxidanylideneoxetan-2-yl)-4-phenyl-pentyl]thiourea

Systemtic Name: 1,3-bis[4-(4-oxidanylideneoxetan-2-yl)-4-phenyl-pentyl]thiourea Openeye Name: 1,3-bis[4-(4-oxooxetan-2-yl)-4-phenyl-pentyl]thiourea CAS Name: 1,3-bis[4-(4-oxo-2-oxetanyl)-4-phenylpentyl]thiourea IUPAC Name: 1,3-bis[4-(4-oxooxetan-2-yl)-4-phenylpentyl]thiourea Traditional Name: 1,3-bis[4-(4-ketooxetan-2-yl)-4-phenyl-pentyl]thiourea Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNC(=S)NCCCC(C)(C1CC(=O)O1)C2=CC=CC=C2)(C3CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

CC(CCCNC(=S)NCCCC(C)(C1CC(=O)O1)C2=CC=CC=C2)(C3CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C29H36N2O4S/c1-28(23-19-25(32)34-23,21-11-5-3-6-12-21)15-9-17-30-27(36)31-18-10-16-29(2,24-20-26(33)35-24)22-13-7-4-8-14-22/h3-8,11-14,23-24H,9-10,15-20H2,1-2H3,(H2,30,31,36)