1-octadecyl-3-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-octadecyl-3-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-octadecyl-thiourea CAS Name: 1-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-octadecylthiourea IUPAC Name: 1-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-octadecylthiourea Traditional Name: 1-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-stearyl-thiourea Formula: C26H45N3O2S MolecularWeight: 463.7194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NNC=C1C=CC(=O)C=C1O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NNC=C1C=CC(=O)C=C1O

InChI

InChI=1S/C26H45N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-26(32)29-28-22-23-18-19-24(30)21-25(23)31/h18-19,21-22,28,31H,2-17,20H2,1H3,(H2,27,29,32)