1,3-bis(5-methyl-6-oxidanylidene-5-phenyl-hexyl)thiourea

Systemtic Name: 1,3-bis(5-methyl-6-oxidanylidene-5-phenyl-hexyl)thiourea Openeye Name: 1,3-bis(5-methyl-6-oxo-5-phenyl-hexyl)thiourea CAS Name: 1,3-bis(5-methyl-6-oxo-5-phenylhexyl)thiourea IUPAC Name: 1,3-bis(5-methyl-6-oxo-5-phenylhexyl)thiourea Traditional Name: 1,3-bis(6-keto-5-methyl-5-phenyl-hexyl)thiourea Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCNC(=S)NCCCCC(C)(C=O)C1=CC=CC=C1)(C=O)C2=CC=CC=C2

Isomeric SMILES

CC(CCCCNC(=S)NCCCCC(C)(C=O)C1=CC=CC=C1)(C=O)C2=CC=CC=C2

InChI

InChI=1S/C27H36N2O2S/c1-26(21-30,23-13-5-3-6-14-23)17-9-11-19-28-25(32)29-20-12-10-18-27(2,22-31)24-15-7-4-8-16-24/h3-8,13-16,21-22H,9-12,17-20H2,1-2H3,(H2,28,29,32)