1,3-bis[4-(5-oxidanylideneoxolan-2-yl)-4-phenyl-pentyl]thiourea

Systemtic Name: 1,3-bis[4-(5-oxidanylideneoxolan-2-yl)-4-phenyl-pentyl]thiourea Openeye Name: 1,3-bis[4-(5-oxotetrahydrofuran-2-yl)-4-phenyl-pentyl]thiourea CAS Name: 1,3-bis[4-(5-oxo-2-oxolanyl)-4-phenylpentyl]thiourea IUPAC Name: 1,3-bis[4-(5-oxooxolan-2-yl)-4-phenylpentyl]thiourea Traditional Name: 1,3-bis[4-(5-ketotetrahydrofuran-2-yl)-4-phenyl-pentyl]thiourea Formula: C31H40N2O4S MolecularWeight: 536.7253

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNC(=S)NCCCC(C)(C1CCC(=O)O1)C2=CC=CC=C2)(C3CCC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

CC(CCCNC(=S)NCCCC(C)(C1CCC(=O)O1)C2=CC=CC=C2)(C3CCC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C31H40N2O4S/c1-30(23-11-5-3-6-12-23,25-15-17-27(34)36-25)19-9-21-32-29(38)33-22-10-20-31(2,24-13-7-4-8-14-24)26-16-18-28(35)37-26/h3-8,11-14,25-26H,9-10,15-22H2,1-2H3,(H2,32,33,38)