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

Systemtic Name: 1-hexadecyl-3-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-hexadecyl-3-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-hexadecyl-3-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-hexadecyl-3-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-cetyl-3-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C24H41N3O2S MolecularWeight: 435.66624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-24(30)27-26-20-21-16-17-22(28)19-23(21)29/h16-17,19-20,26,29H,2-15,18H2,1H3,(H2,25,27,30)